N-(3-oxo-3-piperidin-1-ylpropyl)-1-piperidin-4-yltriazole-4-carboxamide

C16H26N6O2 — CID 119718616

IUPACN-(3-oxo-3-piperidin-1-ylpropyl)-1-piperidin-4-yltriazole-4-carboxamide
SMILESO=C(NCCC(=O)N1CCCCC1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C16H26N6O2/c23-15(21-10-2-1-3-11-21)6-9-18-16(24)14-12-22(20-19-14)13-4-7-17-8-5-13/h12-13,17H,1-11H2,(H,18,24)
InChIKeyRXZHRNZZBJSFNU-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.34
Rot. Bonds5

About N-(3-oxo-3-piperidin-1-ylpropyl)-1-piperidin-4-yltriazole-4-carboxamide

N-(3-oxo-3-piperidin-1-ylpropyl)-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119718616) has the molecular formula C16H26N6O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-(3-oxo-3-piperidin-1-ylpropyl)-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-oxo-3-piperidin-1-ylpropyl)-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119718616
Molecular FormulaC16H26N6O2
Molecular Weight334.42 g/mol
Exact Mass334.21
IUPAC NameN-(3-oxo-3-piperidin-1-ylpropyl)-1-piperidin-4-yltriazole-4-carboxamide
SMILESO=C(NCCC(=O)N1CCCCC1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C16H26N6O2/c23-15(21-10-2-1-3-11-21)6-9-18-16(24)14-12-22(20-19-14)13-4-7-17-8-5-13/h12-13,17H,1-11H2,(H,18,24)
InChIKeyRXZHRNZZBJSFNU-UHFFFAOYSA-N
XLogP0.34
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(cycloheptylamino)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 122080776
1-piperidin-4-yl-N-(3-pyrrolidin-1-ylpropyl)triazole-4-carboxamide;dihydrochloride
CID 119835561
N-(2-cyclohexylethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119725715
N-(5-amino-5-oxopentyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 106235634
N-(2-acetamidoethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63283255
N-(6-hydroxyhexyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 107842557
N-[2-[(2-cyclohexylacetyl)amino]ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119766778
N-but-3-enyl-1-piperidin-4-yltriazole-4-carboxamide
CID 113465689
N-(cyclohexylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119672522
1-piperidin-4-yl-N-prop-2-ynyltriazole-4-carboxamide
CID 63283381
1-piperidin-4-yl-N-(2-thiomorpholin-4-ylethyl)triazole-4-carboxamide
CID 119853614
ethyl 4-[(1-piperidin-4-yltriazole-4-carbonyl)amino]butanoate
CID 119726260

Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-3-piperidin-1-ylpropyl)-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-(3-oxo-3-piperidin-1-ylpropyl)-1-piperidin-4-yltriazole-4-carboxamide (CID 119718616) is N-(3-oxo-3-piperidin-1-ylpropyl)-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-(3-oxo-3-piperidin-1-ylpropyl)-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-(3-oxo-3-piperidin-1-ylpropyl)-1-piperidin-4-yltriazole-4-carboxamide is O=C(NCCC(=O)N1CCCCC1)c1cn(C2CCNCC2)nn1.
What is the InChIKey of N-(3-oxo-3-piperidin-1-ylpropyl)-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is RXZHRNZZBJSFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O2/c23-15(21-10-2-1-3-11-21)6-9-18-16(24)14-12-22(20-19-14)13-4-7-17-8-5-13/h12-13,17H,1-11H2,(H,18,24).
What are the key properties of N-(3-oxo-3-piperidin-1-ylpropyl)-1-piperidin-4-yltriazole-4-carboxamide?
N-(3-oxo-3-piperidin-1-ylpropyl)-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-3-piperidin-1-ylpropyl)-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119718616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).