1-[[1-(2-cyclopentylacetyl)piperidin-3-yl]methyl]-N,N-diethyltriazole-4-carboxamide

C20H33N5O2 — CID 45179659

IUPAC1-[[1-(2-cyclopentylacetyl)piperidin-3-yl]methyl]-N,N-diethyltriazole-4-carboxamide
SMILESCCN(CC)C(=O)c1cn(CC2CCCN(C(=O)CC3CCCC3)C2)nn1
InChIInChI=1S/C20H33N5O2/c1-3-23(4-2)20(27)18-15-25(22-21-18)14-17-10-7-11-24(13-17)19(26)12-16-8-5-6-9-16/h15-17H,3-14H2,1-2H3
InChIKeyVLPYPIVICKYCNH-UHFFFAOYSA-N
MW375.52 g/mol
LogP2.58
Rot. Bonds7

About 1-[[1-(2-cyclopentylacetyl)piperidin-3-yl]methyl]-N,N-diethyltriazole-4-carboxamide

1-[[1-(2-cyclopentylacetyl)piperidin-3-yl]methyl]-N,N-diethyltriazole-4-carboxamide (PubChem CID 45179659) has the molecular formula C20H33N5O2 and a molecular weight of 375.52 g/mol. Its IUPAC name is 1-[[1-(2-cyclopentylacetyl)piperidin-3-yl]methyl]-N,N-diethyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-[[1-(2-cyclopentylacetyl)piperidin-3-yl]methyl]-N,N-diethyltriazole-4-carboxamide
PubChem CID45179659
Molecular FormulaC20H33N5O2
Molecular Weight375.52 g/mol
Exact Mass375.26
IUPAC Name1-[[1-(2-cyclopentylacetyl)piperidin-3-yl]methyl]-N,N-diethyltriazole-4-carboxamide
SMILESCCN(CC)C(=O)c1cn(CC2CCCN(C(=O)CC3CCCC3)C2)nn1
InChIInChI=1S/C20H33N5O2/c1-3-23(4-2)20(27)18-15-25(22-21-18)14-17-10-7-11-24(13-17)19(26)12-16-8-5-6-9-16/h15-17H,3-14H2,1-2H3
InChIKeyVLPYPIVICKYCNH-UHFFFAOYSA-N
XLogP2.58
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-1-[[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]triazole-4-carboxamide
CID 45234346
N,N-diethyl-1-[[1-[3-(3-methoxyphenyl)propanoyl]piperidin-3-yl]methyl]triazole-4-carboxamide
CID 45224059
1-[1-(2-cyclopentylacetyl)piperidin-4-yl]-N,N-diethyltriazole-4-carboxamide
CID 26326855
N,N-diethyl-1-[[1-(furan-3-ylmethyl)piperidin-3-yl]methyl]triazole-4-carboxamide
CID 45202777
1-[[(3R)-1-[(4-acetamidophenyl)methyl]piperidin-3-yl]methyl]-N,N-diethyltriazole-4-carboxamide
CID 26348448
1-[[(3S)-1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-3-yl]methyl]-N,N-diethyltriazole-4-carboxamide
CID 26341215
1-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methyl]triazole-4-carboxylic acid
CID 75260817
1-(2-aminoethyl)-N-(cyclobutylmethyl)-N-ethyltriazole-4-carboxamide
CID 107398533
1-[[(3R)-1-(cyclopentene-1-carbonyl)piperidin-3-yl]methyl]triazole-4-carboxylic acid
CID 95193191
1-[[1-[(4-methylphenyl)carbamoyl]piperidin-3-yl]methyl]triazole-4-carboxylic acid
CID 50952503
1-[[(3R)-1-[(4-methylphenyl)carbamoyl]piperidin-3-yl]methyl]triazole-4-carboxylic acid
CID 95121607
1-[(3R)-3-[[4-(aminomethyl)triazol-1-yl]methyl]piperidin-1-yl]ethanone
CID 129495083

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-cyclopentylacetyl)piperidin-3-yl]methyl]-N,N-diethyltriazole-4-carboxamide?
The IUPAC name of 1-[[1-(2-cyclopentylacetyl)piperidin-3-yl]methyl]-N,N-diethyltriazole-4-carboxamide (CID 45179659) is 1-[[1-(2-cyclopentylacetyl)piperidin-3-yl]methyl]-N,N-diethyltriazole-4-carboxamide.
What is the SMILES notation for 1-[[1-(2-cyclopentylacetyl)piperidin-3-yl]methyl]-N,N-diethyltriazole-4-carboxamide?
The canonical SMILES for 1-[[1-(2-cyclopentylacetyl)piperidin-3-yl]methyl]-N,N-diethyltriazole-4-carboxamide is CCN(CC)C(=O)c1cn(CC2CCCN(C(=O)CC3CCCC3)C2)nn1.
What is the InChIKey of 1-[[1-(2-cyclopentylacetyl)piperidin-3-yl]methyl]-N,N-diethyltriazole-4-carboxamide?
The InChIKey is VLPYPIVICKYCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O2/c1-3-23(4-2)20(27)18-15-25(22-21-18)14-17-10-7-11-24(13-17)19(26)12-16-8-5-6-9-16/h15-17H,3-14H2,1-2H3.
What are the key properties of 1-[[1-(2-cyclopentylacetyl)piperidin-3-yl]methyl]-N,N-diethyltriazole-4-carboxamide?
1-[[1-(2-cyclopentylacetyl)piperidin-3-yl]methyl]-N,N-diethyltriazole-4-carboxamide has a molecular weight of 375.52 g/mol, XLogP of 2.58, 7 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-3-yl]methyl]-N,N-diethyltriazole-4-carboxamide is sourced from PubChem (CID 45179659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).