N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide

C18H31N5O — CID 72870669

IUPACN-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide
SMILESCCn1ncnc1C(NC(=O)CC1CCN(C(C)C)CC1)C1CC1
InChIInChI=1S/C18H31N5O/c1-4-23-18(19-12-20-23)17(15-5-6-15)21-16(24)11-14-7-9-22(10-8-14)13(2)3/h12-15,17H,4-11H2,1-3H3,(H,21,24)
InChIKeyKPQLYOYZQCLMRK-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.38
Rot. Bonds7

About N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide

N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide (PubChem CID 72870669) has the molecular formula C18H31N5O and a molecular weight of 333.48 g/mol. Its IUPAC name is N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide.

Molecular Properties

Compound NameN-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide
PubChem CID72870669
Molecular FormulaC18H31N5O
Molecular Weight333.48 g/mol
Exact Mass333.25
IUPAC NameN-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide
SMILESCCn1ncnc1C(NC(=O)CC1CCN(C(C)C)CC1)C1CC1
InChIInChI=1S/C18H31N5O/c1-4-23-18(19-12-20-23)17(15-5-6-15)21-16(24)11-14-7-9-22(10-8-14)13(2)3/h12-15,17H,4-11H2,1-3H3,(H,21,24)
InChIKeyKPQLYOYZQCLMRK-UHFFFAOYSA-N
XLogP2.38
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(4-isopropyl-4H-1,2,4-triazol-3-yl)ethyl]cyclopentanecarboxamide
CID 45199342
1-(2-amino-2-oxoethyl)-N-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]-N-methylpiperidine-3-carboxamide
CID 47000434
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylpiperidine-1-carboxamide
CID 47252889
1-[(4-Ethyl-1,2,4-triazol-3-yl)methyl]-3-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]urea
CID 51082968
N-(dicyclopropylmethyl)-2-[2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 53608672
({5-[1-(aminoacetyl)-4-piperidinyl]-4-cyclopropyl-4H-1,2,4-triazol-3-yl}methyl)dimethylamine dihydrochloride
CID 70731082
1-(2-amino-2-oxoethyl)-N-[1-(1-propyl-1H-1,2,4-triazol-5-yl)ethyl]-4-piperidinecarboxamide
CID 70752710
1-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-N-methylpiperidine-1,4-dicarboxamide
CID 71892913
1-[3-(4-Methylpiperidin-1-yl)propyl]-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 71893532
N,4-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-(2-oxopiperidin-1-yl)pentanamide
CID 71972493
1-(cyclopropylcarbonyl)-N-[1-(1-propyl-1H-1,2,4-triazol-5-yl)ethyl]-4-piperidinecarboxamide
CID 72839810
1-(cyclopropylcarbonyl)-N-[1-(4-isopropyl-4H-1,2,4-triazol-3-yl)ethyl]-4-piperidinecarboxamide
CID 72852342

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide?
The IUPAC name of N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide (CID 72870669) is N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide.
What is the SMILES notation for N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide?
The canonical SMILES for N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide is CCn1ncnc1C(NC(=O)CC1CCN(C(C)C)CC1)C1CC1.
What is the InChIKey of N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide?
The InChIKey is KPQLYOYZQCLMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O/c1-4-23-18(19-12-20-23)17(15-5-6-15)21-16(24)11-14-7-9-22(10-8-14)13(2)3/h12-15,17H,4-11H2,1-3H3,(H,21,24).
What are the key properties of N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide?
N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide has a molecular weight of 333.48 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide is sourced from PubChem (CID 72870669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).