1-[1-(2-cyclopentylacetyl)piperidin-4-yl]-N,N-diethyltriazole-4-carboxamide

C19H31N5O2 — CID 26326855

IUPAC1-[1-(2-cyclopentylacetyl)piperidin-4-yl]-N,N-diethyltriazole-4-carboxamide
SMILESCCN(CC)C(=O)c1cn(C2CCN(C(=O)CC3CCCC3)CC2)nn1
InChIInChI=1S/C19H31N5O2/c1-3-22(4-2)19(26)17-14-24(21-20-17)16-9-11-23(12-10-16)18(25)13-15-7-5-6-8-15/h14-16H,3-13H2,1-2H3
InChIKeyLRMGZEAOTICYCI-UHFFFAOYSA-N
MW361.49 g/mol
LogP2.50
Rot. Bonds6

About 1-[1-(2-cyclopentylacetyl)piperidin-4-yl]-N,N-diethyltriazole-4-carboxamide

1-[1-(2-cyclopentylacetyl)piperidin-4-yl]-N,N-diethyltriazole-4-carboxamide (PubChem CID 26326855) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 1-[1-(2-cyclopentylacetyl)piperidin-4-yl]-N,N-diethyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-[1-(2-cyclopentylacetyl)piperidin-4-yl]-N,N-diethyltriazole-4-carboxamide
PubChem CID26326855
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC Name1-[1-(2-cyclopentylacetyl)piperidin-4-yl]-N,N-diethyltriazole-4-carboxamide
SMILESCCN(CC)C(=O)c1cn(C2CCN(C(=O)CC3CCCC3)CC2)nn1
InChIInChI=1S/C19H31N5O2/c1-3-22(4-2)19(26)17-14-24(21-20-17)16-9-11-23(12-10-16)18(25)13-15-7-5-6-8-15/h14-16H,3-13H2,1-2H3
InChIKeyLRMGZEAOTICYCI-UHFFFAOYSA-N
XLogP2.50
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[1-(2-cyclopentylacetyl)piperidin-3-yl]methyl]-N,N-diethyltriazole-4-carboxamide
CID 45179659
N,N-diethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119671423
N,N-diethyl-1-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]triazole-4-carboxamide
CID 26399029
N-(cyclopropylmethyl)-N-ethyl-1-piperidin-4-yltriazole-4-carboxamide
CID 63954765
2-cyclopentyl-1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]ethanone
CID 121021120
N,N-diethyl-1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]triazole-4-carboxamide
CID 42432934
N,N-diethyl-1-[1-[(E)-2-methylbut-2-enyl]piperidin-3-yl]triazole-4-carboxamide
CID 45205536
2-cyclopentyl-1-[4-(triazol-1-yl)piperidin-1-yl]ethanone
CID 121151131
1-cyclohexyl-N,N-bis(prop-2-enyl)triazole-4-carboxamide
CID 42194943
1-[1-(3-cyclohexyl-3-methylbutanoyl)piperidin-4-yl]triazole-4-carboxylic acid
CID 167905746
N,N-diethyl-1-[1-(quinolin-5-ylmethyl)piperidin-4-yl]triazole-4-carboxamide
CID 42501111
1-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-N,N-diethyltriazole-4-carboxamide
CID 25326216

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-cyclopentylacetyl)piperidin-4-yl]-N,N-diethyltriazole-4-carboxamide?
The IUPAC name of 1-[1-(2-cyclopentylacetyl)piperidin-4-yl]-N,N-diethyltriazole-4-carboxamide (CID 26326855) is 1-[1-(2-cyclopentylacetyl)piperidin-4-yl]-N,N-diethyltriazole-4-carboxamide.
What is the SMILES notation for 1-[1-(2-cyclopentylacetyl)piperidin-4-yl]-N,N-diethyltriazole-4-carboxamide?
The canonical SMILES for 1-[1-(2-cyclopentylacetyl)piperidin-4-yl]-N,N-diethyltriazole-4-carboxamide is CCN(CC)C(=O)c1cn(C2CCN(C(=O)CC3CCCC3)CC2)nn1.
What is the InChIKey of 1-[1-(2-cyclopentylacetyl)piperidin-4-yl]-N,N-diethyltriazole-4-carboxamide?
The InChIKey is LRMGZEAOTICYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O2/c1-3-22(4-2)19(26)17-14-24(21-20-17)16-9-11-23(12-10-16)18(25)13-15-7-5-6-8-15/h14-16H,3-13H2,1-2H3.
What are the key properties of 1-[1-(2-cyclopentylacetyl)piperidin-4-yl]-N,N-diethyltriazole-4-carboxamide?
1-[1-(2-cyclopentylacetyl)piperidin-4-yl]-N,N-diethyltriazole-4-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 2.50, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-cyclopentylacetyl)piperidin-4-yl]-N,N-diethyltriazole-4-carboxamide is sourced from PubChem (CID 26326855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).