N-(1-propan-2-ylpiperidin-4-yl)-4-(2H-triazol-4-yl)butanamide;N-(1-propan-2-ylpiperidin-4-yl)-5-(2H-triazol-4-yl)pentanamide;N-(1-propan-2-ylpiperidin-4-yl)-3-(2H-triazol-4-yl)propanamide

C42H75N15O3 — CID 158231246

IUPACN-(1-propan-2-ylpiperidin-4-yl)-4-(2H-triazol-4-yl)butanamide;N-(1-propan-2-ylpiperidin-4-yl)-5-(2H-triazol-4-yl)pentanamide;N-(1-propan-2-ylpiperidin-4-yl)-3-(2H-triazol-4-yl)propanamide
SMILESCC(C)N1CCC(NC(=O)CCCCc2cn[nH]n2)CC1.CC(C)N1CCC(NC(=O)CCCc2cn[nH]n2)CC1.CC(C)N1CCC(NC(=O)CCc2cn[nH]n2)CC1
InChIInChI=1S/C15H27N5O.C14H25N5O.C13H23N5O/c1-12(2)20-9-7-13(8-10-20)17-15(21)6-4-3-5-14-11-16-19-18-14;1-11(2)19-8-6-12(7-9-19)16-14(20)5-3-4-13-10-15-18-17-13;1-10(2)18-7-5-11(6-8-18)15-13(19)4-3-12-9-14-17-16-12/h11-13H,3-10H2,1-2H3,(H,17,21)(H,16,18,19);10-12H,3-9H2,1-2H3,(H,16,20)(H,15,17,18);9-11H,3-8H2,1-2H3,(H,15,19)(H,14,16,17)
InChIKeyGEKHALDWSWPGCL-UHFFFAOYSA-N
MW838.16 g/mol
LogP3.35
Rot. Bonds18

About N-(1-propan-2-ylpiperidin-4-yl)-4-(2H-triazol-4-yl)butanamide;N-(1-propan-2-ylpiperidin-4-yl)-5-(2H-triazol-4-yl)pentanamide;N-(1-propan-2-ylpiperidin-4-yl)-3-(2H-triazol-4-yl)propanamide

N-(1-propan-2-ylpiperidin-4-yl)-4-(2H-triazol-4-yl)butanamide;N-(1-propan-2-ylpiperidin-4-yl)-5-(2H-triazol-4-yl)pentanamide;N-(1-propan-2-ylpiperidin-4-yl)-3-(2H-triazol-4-yl)propanamide (PubChem CID 158231246) has the molecular formula C42H75N15O3 and a molecular weight of 838.16 g/mol. Its IUPAC name is N-(1-propan-2-ylpiperidin-4-yl)-4-(2H-triazol-4-yl)butanamide;N-(1-propan-2-ylpiperidin-4-yl)-5-(2H-triazol-4-yl)pentanamide;N-(1-propan-2-ylpiperidin-4-yl)-3-(2H-triazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(1-propan-2-ylpiperidin-4-yl)-4-(2H-triazol-4-yl)butanamide;N-(1-propan-2-ylpiperidin-4-yl)-5-(2H-triazol-4-yl)pentanamide;N-(1-propan-2-ylpiperidin-4-yl)-3-(2H-triazol-4-yl)propanamide
PubChem CID158231246
Molecular FormulaC42H75N15O3
Molecular Weight838.16 g/mol
Exact Mass837.62
IUPAC NameN-(1-propan-2-ylpiperidin-4-yl)-4-(2H-triazol-4-yl)butanamide;N-(1-propan-2-ylpiperidin-4-yl)-5-(2H-triazol-4-yl)pentanamide;N-(1-propan-2-ylpiperidin-4-yl)-3-(2H-triazol-4-yl)propanamide
SMILESCC(C)N1CCC(NC(=O)CCCCc2cn[nH]n2)CC1.CC(C)N1CCC(NC(=O)CCCc2cn[nH]n2)CC1.CC(C)N1CCC(NC(=O)CCc2cn[nH]n2)CC1
InChIInChI=1S/C15H27N5O.C14H25N5O.C13H23N5O/c1-12(2)20-9-7-13(8-10-20)17-15(21)6-4-3-5-14-11-16-19-18-14;1-11(2)19-8-6-12(7-9-19)16-14(20)5-3-4-13-10-15-18-17-13;1-10(2)18-7-5-11(6-8-18)15-13(19)4-3-12-9-14-17-16-12/h11-13H,3-10H2,1-2H3,(H,17,21)(H,16,18,19);10-12H,3-9H2,1-2H3,(H,16,20)(H,15,17,18);9-11H,3-8H2,1-2H3,(H,15,19)(H,14,16,17)
InChIKeyGEKHALDWSWPGCL-UHFFFAOYSA-N
XLogP3.35
TPSA221.73 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds18
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500838.16
LogP ≤ 53.35
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(1-propan-2-ylpiperidin-4-yl)-4-(2H-triazol-4-yl)butanamide;N-(1-propan-2-ylpiperidin-4-yl)-5-(2H-triazol-4-yl)pentanamide;N-(1-propan-2-ylpiperidin-4-yl)-3-(2H-triazol-4-yl)propanamide with MolForge

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Related Compounds

tert-butyl 4-[6-(2H-triazol-4-yl)hexanoylamino]piperidine-1-carboxylate;N-piperidin-4-yl-6-(2H-triazol-4-yl)hexanamide
CID 90219206
3-[4-(2H-triazol-4-yl)butanoylamino]-8-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 90219240
5-chloro-N-(1-propan-2-ylpiperidin-4-yl)pentanamide
CID 43700529
N-[1-[2-(3-chloro-5-methylphenoxy)acetyl]piperidin-4-yl]-4-(2H-triazol-4-yl)butanamide
CID 90224677
2-(3,5-dichlorophenyl)ethyl 4-[4-(2H-triazol-4-yl)butanoylamino]piperidine-1-carboxylate
CID 90218960
N-(1-propan-2-ylpiperidin-4-yl)-3-thiophen-2-ylpropanamide
CID 110751959
[1-[4-(2H-triazol-4-yl)butanoyl]azepan-4-yl]carbamic acid
CID 90219006
4-hydroxy-N-(1-propan-2-ylpiperidin-4-yl)pentanamide
CID 79200680
N-methyl-N-(1-methylpiperidin-4-yl)-4-(2H-triazol-4-yl)butanamide
CID 90226741
4-(2-oxo-1,3-benzoxazol-3-yl)-N-(1-propan-2-ylpiperidin-4-yl)butanamide
CID 24542983
3-fluoro-N-[3-[4-(2H-triazol-4-yl)butanoylamino]cyclobutyl]thiophene-2-carboxamide
CID 154855923
2-chloro-N-(1-propan-2-ylpiperidin-4-yl)acetamide;hydrochloride
CID 54593359

Frequently Asked Questions

What is the IUPAC name of N-(1-propan-2-ylpiperidin-4-yl)-4-(2H-triazol-4-yl)butanamide;N-(1-propan-2-ylpiperidin-4-yl)-5-(2H-triazol-4-yl)pentanamide;N-(1-propan-2-ylpiperidin-4-yl)-3-(2H-triazol-4-yl)propanamide?
The IUPAC name of N-(1-propan-2-ylpiperidin-4-yl)-4-(2H-triazol-4-yl)butanamide;N-(1-propan-2-ylpiperidin-4-yl)-5-(2H-triazol-4-yl)pentanamide;N-(1-propan-2-ylpiperidin-4-yl)-3-(2H-triazol-4-yl)propanamide (CID 158231246) is N-(1-propan-2-ylpiperidin-4-yl)-4-(2H-triazol-4-yl)butanamide;N-(1-propan-2-ylpiperidin-4-yl)-5-(2H-triazol-4-yl)pentanamide;N-(1-propan-2-ylpiperidin-4-yl)-3-(2H-triazol-4-yl)propanamide.
What is the SMILES notation for N-(1-propan-2-ylpiperidin-4-yl)-4-(2H-triazol-4-yl)butanamide;N-(1-propan-2-ylpiperidin-4-yl)-5-(2H-triazol-4-yl)pentanamide;N-(1-propan-2-ylpiperidin-4-yl)-3-(2H-triazol-4-yl)propanamide?
The canonical SMILES for N-(1-propan-2-ylpiperidin-4-yl)-4-(2H-triazol-4-yl)butanamide;N-(1-propan-2-ylpiperidin-4-yl)-5-(2H-triazol-4-yl)pentanamide;N-(1-propan-2-ylpiperidin-4-yl)-3-(2H-triazol-4-yl)propanamide is CC(C)N1CCC(NC(=O)CCCCc2cn[nH]n2)CC1.CC(C)N1CCC(NC(=O)CCCc2cn[nH]n2)CC1.CC(C)N1CCC(NC(=O)CCc2cn[nH]n2)CC1.
What is the InChIKey of N-(1-propan-2-ylpiperidin-4-yl)-4-(2H-triazol-4-yl)butanamide;N-(1-propan-2-ylpiperidin-4-yl)-5-(2H-triazol-4-yl)pentanamide;N-(1-propan-2-ylpiperidin-4-yl)-3-(2H-triazol-4-yl)propanamide?
The InChIKey is GEKHALDWSWPGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O.C14H25N5O.C13H23N5O/c1-12(2)20-9-7-13(8-10-20)17-15(21)6-4-3-5-14-11-16-19-18-14;1-11(2)19-8-6-12(7-9-19)16-14(20)5-3-4-13-10-15-18-17-13;1-10(2)18-7-5-11(6-8-18)15-13(19)4-3-12-9-14-17-16-12/h11-13H,3-10H2,1-2H3,(H,17,21)(H,16,18,19);10-12H,3-9H2,1-2H3,(H,16,20)(H,15,17,18);9-11H,3-8H2,1-2H3,(H,15,19)(H,14,16,17).
What are the key properties of N-(1-propan-2-ylpiperidin-4-yl)-4-(2H-triazol-4-yl)butanamide;N-(1-propan-2-ylpiperidin-4-yl)-5-(2H-triazol-4-yl)pentanamide;N-(1-propan-2-ylpiperidin-4-yl)-3-(2H-triazol-4-yl)propanamide?
N-(1-propan-2-ylpiperidin-4-yl)-4-(2H-triazol-4-yl)butanamide;N-(1-propan-2-ylpiperidin-4-yl)-5-(2H-triazol-4-yl)pentanamide;N-(1-propan-2-ylpiperidin-4-yl)-3-(2H-triazol-4-yl)propanamide has a molecular weight of 838.16 g/mol, XLogP of 3.35, 18 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propan-2-ylpiperidin-4-yl)-4-(2H-triazol-4-yl)butanamide;N-(1-propan-2-ylpiperidin-4-yl)-5-(2H-triazol-4-yl)pentanamide;N-(1-propan-2-ylpiperidin-4-yl)-3-(2H-triazol-4-yl)propanamide is sourced from PubChem (CID 158231246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).