5-(2,3-dihydro-1H-triazol-4-yl)-N-(1-propan-2-ylpiperidin-4-yl)pentanamide

C15H29N5O — CID 90224675

IUPAC5-(2,3-dihydro-1H-triazol-4-yl)-N-(1-propan-2-ylpiperidin-4-yl)pentanamide
SMILESCC(C)N1CCC(NC(=O)CCCCC2=CNNN2)CC1
InChIInChI=1S/C15H29N5O/c1-12(2)20-9-7-13(8-10-20)17-15(21)6-4-3-5-14-11-16-19-18-14/h11-13,16,18-19H,3-10H2,1-2H3,(H,17,21)
InChIKeyZFCKSFRZZWVJFM-UHFFFAOYSA-N
MW295.43 g/mol
LogP0.99
Rot. Bonds7

About 5-(2,3-dihydro-1H-triazol-4-yl)-N-(1-propan-2-ylpiperidin-4-yl)pentanamide

5-(2,3-dihydro-1H-triazol-4-yl)-N-(1-propan-2-ylpiperidin-4-yl)pentanamide (PubChem CID 90224675) has the molecular formula C15H29N5O and a molecular weight of 295.43 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-triazol-4-yl)-N-(1-propan-2-ylpiperidin-4-yl)pentanamide.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-triazol-4-yl)-N-(1-propan-2-ylpiperidin-4-yl)pentanamide
PubChem CID90224675
Molecular FormulaC15H29N5O
Molecular Weight295.43 g/mol
Exact Mass295.24
IUPAC Name5-(2,3-dihydro-1H-triazol-4-yl)-N-(1-propan-2-ylpiperidin-4-yl)pentanamide
SMILESCC(C)N1CCC(NC(=O)CCCCC2=CNNN2)CC1
InChIInChI=1S/C15H29N5O/c1-12(2)20-9-7-13(8-10-20)17-15(21)6-4-3-5-14-11-16-19-18-14/h11-13,16,18-19H,3-10H2,1-2H3,(H,17,21)
InChIKeyZFCKSFRZZWVJFM-UHFFFAOYSA-N
XLogP0.99
TPSA68.43 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 50.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-Trifluoro-1-[2-[(3-methyl-1,2-dihydrotriazol-5-yl)methyl]piperidin-1-yl]ethanone
CID 169137651
3-(2,3-dihydro-1H-triazol-4-yl)-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 90224674
4-(2,3-dihydro-1H-triazol-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]butanamide
CID 90227122
3-(2,3-dihydro-1H-triazol-4-yl)-N-(1-methylpiperidin-4-yl)propanamide
CID 90227128
5-(2,3-dihydro-1H-triazol-4-yl)-N-(1-methylpiperidin-4-yl)pentanamide
CID 90227129
N-(6-hydrazinylhept-6-enyl)hexanamide
CID 132263980
(Z)-5,6-diamino-N-(1-methylpiperidin-4-yl)hex-5-enamide
CID 144649695
(Z)-6,7-diamino-N-(1-methylpiperidin-4-yl)hept-6-enamide
CID 144649719
[2-Hydrazinyl-7-[(1-methylpiperidin-4-yl)amino]-7-oxohept-1-enyl]azanium
CID 163528049
(Z)-5-amino-6-hydrazinyl-N-(1-methylazepan-4-yl)hex-5-enamide
CID 144649703
7-amino-6-hydrazinyl-N-(1-methylpiperidin-4-yl)hept-6-enamide
CID 163528050

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-triazol-4-yl)-N-(1-propan-2-ylpiperidin-4-yl)pentanamide?
The IUPAC name of 5-(2,3-dihydro-1H-triazol-4-yl)-N-(1-propan-2-ylpiperidin-4-yl)pentanamide (CID 90224675) is 5-(2,3-dihydro-1H-triazol-4-yl)-N-(1-propan-2-ylpiperidin-4-yl)pentanamide.
What is the SMILES notation for 5-(2,3-dihydro-1H-triazol-4-yl)-N-(1-propan-2-ylpiperidin-4-yl)pentanamide?
The canonical SMILES for 5-(2,3-dihydro-1H-triazol-4-yl)-N-(1-propan-2-ylpiperidin-4-yl)pentanamide is CC(C)N1CCC(NC(=O)CCCCC2=CNNN2)CC1.
What is the InChIKey of 5-(2,3-dihydro-1H-triazol-4-yl)-N-(1-propan-2-ylpiperidin-4-yl)pentanamide?
The InChIKey is ZFCKSFRZZWVJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5O/c1-12(2)20-9-7-13(8-10-20)17-15(21)6-4-3-5-14-11-16-19-18-14/h11-13,16,18-19H,3-10H2,1-2H3,(H,17,21).
What are the key properties of 5-(2,3-dihydro-1H-triazol-4-yl)-N-(1-propan-2-ylpiperidin-4-yl)pentanamide?
5-(2,3-dihydro-1H-triazol-4-yl)-N-(1-propan-2-ylpiperidin-4-yl)pentanamide has a molecular weight of 295.43 g/mol, XLogP of 0.99, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1H-triazol-4-yl)-N-(1-propan-2-ylpiperidin-4-yl)pentanamide is sourced from PubChem (CID 90224675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).