1-piperidin-4-yl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]triazole-4-carboxamide

C20H28N6O — CID 119900394

IUPAC1-piperidin-4-yl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]triazole-4-carboxamide
SMILESCC(NC(=O)c1cn(C2CCNCC2)nn1)c1cccc(N2CCCC2)c1
InChIInChI=1S/C20H28N6O/c1-15(16-5-4-6-18(13-16)25-11-2-3-12-25)22-20(27)19-14-26(24-23-19)17-7-9-21-10-8-17/h4-6,13-15,17,21H,2-3,7-12H2,1H3,(H,22,27)
InChIKeyFOQSSDWCQCYBNE-UHFFFAOYSA-N
MW368.49 g/mol
LogP2.29
Rot. Bonds5

About 1-piperidin-4-yl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]triazole-4-carboxamide

1-piperidin-4-yl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]triazole-4-carboxamide (PubChem CID 119900394) has the molecular formula C20H28N6O and a molecular weight of 368.49 g/mol. Its IUPAC name is 1-piperidin-4-yl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-piperidin-4-yl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]triazole-4-carboxamide
PubChem CID119900394
Molecular FormulaC20H28N6O
Molecular Weight368.49 g/mol
Exact Mass368.23
IUPAC Name1-piperidin-4-yl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]triazole-4-carboxamide
SMILESCC(NC(=O)c1cn(C2CCNCC2)nn1)c1cccc(N2CCCC2)c1
InChIInChI=1S/C20H28N6O/c1-15(16-5-4-6-18(13-16)25-11-2-3-12-25)22-20(27)19-14-26(24-23-19)17-7-9-21-10-8-17/h4-6,13-15,17,21H,2-3,7-12H2,1H3,(H,22,27)
InChIKeyFOQSSDWCQCYBNE-UHFFFAOYSA-N
XLogP2.29
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(3-ethoxyphenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119745542
5-methyl-1-piperidin-4-yl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]triazole-4-carboxamide
CID 119900380
N-[1-(3,4-dichlorophenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119685991
N-[1-(3-ethoxyphenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119745541
1-piperidin-4-yl-N-(1-pyridin-3-ylethyl)triazole-4-carboxamide
CID 119998839
N-(1,1-diphenylpropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119716614
N-(3-phenylbutan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119790461
N-[1-(1-phenyltriazol-4-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119822395
N-[1-(4-phenoxyphenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119766161
N-(1,1-diphenylpropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119716613
1-piperidin-4-yl-N-[1-(4-pyridin-3-ylphenyl)ethyl]triazole-4-carboxamide
CID 119897450
N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119735222

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]triazole-4-carboxamide?
The IUPAC name of 1-piperidin-4-yl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]triazole-4-carboxamide (CID 119900394) is 1-piperidin-4-yl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]triazole-4-carboxamide.
What is the SMILES notation for 1-piperidin-4-yl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]triazole-4-carboxamide?
The canonical SMILES for 1-piperidin-4-yl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]triazole-4-carboxamide is CC(NC(=O)c1cn(C2CCNCC2)nn1)c1cccc(N2CCCC2)c1.
What is the InChIKey of 1-piperidin-4-yl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]triazole-4-carboxamide?
The InChIKey is FOQSSDWCQCYBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O/c1-15(16-5-4-6-18(13-16)25-11-2-3-12-25)22-20(27)19-14-26(24-23-19)17-7-9-21-10-8-17/h4-6,13-15,17,21H,2-3,7-12H2,1H3,(H,22,27).
What are the key properties of 1-piperidin-4-yl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]triazole-4-carboxamide?
1-piperidin-4-yl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]triazole-4-carboxamide has a molecular weight of 368.49 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]triazole-4-carboxamide is sourced from PubChem (CID 119900394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).