N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-1-piperidin-4-yltriazole-4-carboxamide

C20H27N7O2 — CID 119735222

IUPACN-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESCC(NC(=O)c1cn(C2CCNCC2)nn1)c1ccc(NC(=O)NC2CC2)cc1
InChIInChI=1S/C20H27N7O2/c1-13(14-2-4-15(5-3-14)23-20(29)24-16-6-7-16)22-19(28)18-12-27(26-25-18)17-8-10-21-11-9-17/h2-5,12-13,16-17,21H,6-11H2,1H3,(H,22,28)(H2,23,24,29)
InChIKeyOAMIITWNOOTIMO-UHFFFAOYSA-N
MW397.48 g/mol
LogP1.98
Rot. Bonds6

About N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-1-piperidin-4-yltriazole-4-carboxamide

N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119735222) has the molecular formula C20H27N7O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119735222
Molecular FormulaC20H27N7O2
Molecular Weight397.48 g/mol
Exact Mass397.22
IUPAC NameN-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESCC(NC(=O)c1cn(C2CCNCC2)nn1)c1ccc(NC(=O)NC2CC2)cc1
InChIInChI=1S/C20H27N7O2/c1-13(14-2-4-15(5-3-14)23-20(29)24-16-6-7-16)22-19(28)18-12-27(26-25-18)17-8-10-21-11-9-17/h2-5,12-13,16-17,21H,6-11H2,1H3,(H,22,28)(H2,23,24,29)
InChIKeyOAMIITWNOOTIMO-UHFFFAOYSA-N
XLogP1.98
TPSA112.97 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 51.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(cyclopropylcarbamoylamino)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119702447
N-[1-(3,4-dichlorophenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119685991
N-[1-(4-phenoxyphenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119766161
N-[1-[4-(2-methylpropoxy)phenyl]ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119815206
1-piperidin-4-yl-N-[1-(4-pyridin-3-ylphenyl)ethyl]triazole-4-carboxamide
CID 119897450
1-piperidin-4-yl-N-(1-pyridin-3-ylethyl)triazole-4-carboxamide
CID 119998839
1-cyclohexyl-N-[(1S)-1-(4-fluorophenyl)ethyl]triazole-4-carboxamide
CID 25487064
1-piperidin-4-yl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]triazole-4-carboxamide
CID 119900394
N-[4-(3-methylbutanoylamino)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119703611
N-(1-hydroxypropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63282853
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

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-1-piperidin-4-yltriazole-4-carboxamide (CID 119735222) is N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-1-piperidin-4-yltriazole-4-carboxamide is CC(NC(=O)c1cn(C2CCNCC2)nn1)c1ccc(NC(=O)NC2CC2)cc1.
What is the InChIKey of N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is OAMIITWNOOTIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N7O2/c1-13(14-2-4-15(5-3-14)23-20(29)24-16-6-7-16)22-19(28)18-12-27(26-25-18)17-8-10-21-11-9-17/h2-5,12-13,16-17,21H,6-11H2,1H3,(H,22,28)(H2,23,24,29).
What are the key properties of N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-1-piperidin-4-yltriazole-4-carboxamide?
N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 1.98, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119735222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).