3-(3-chloro-1H-1,2,4-triazol-5-yl)-N-[1-(cyclohexylmethyl)piperidin-3-yl]propanamide

C17H28ClN5O — CID 56917087

IUPAC3-(3-chloro-1H-1,2,4-triazol-5-yl)-N-[1-(cyclohexylmethyl)piperidin-3-yl]propanamide
SMILESO=C(CCc1nc(Cl)n[nH]1)NC1CCCN(CC2CCCCC2)C1
InChIInChI=1S/C17H28ClN5O/c18-17-20-15(21-22-17)8-9-16(24)19-14-7-4-10-23(12-14)11-13-5-2-1-3-6-13/h13-14H,1-12H2,(H,19,24)(H,20,21,22)
InChIKeyZJXJOOWYHQGPCC-UHFFFAOYSA-N
MW353.90 g/mol
LogP2.55
Rot. Bonds6

About 3-(3-chloro-1H-1,2,4-triazol-5-yl)-N-[1-(cyclohexylmethyl)piperidin-3-yl]propanamide

3-(3-chloro-1H-1,2,4-triazol-5-yl)-N-[1-(cyclohexylmethyl)piperidin-3-yl]propanamide (PubChem CID 56917087) has the molecular formula C17H28ClN5O and a molecular weight of 353.90 g/mol. Its IUPAC name is 3-(3-chloro-1H-1,2,4-triazol-5-yl)-N-[1-(cyclohexylmethyl)piperidin-3-yl]propanamide.

Molecular Properties

Compound Name3-(3-chloro-1H-1,2,4-triazol-5-yl)-N-[1-(cyclohexylmethyl)piperidin-3-yl]propanamide
PubChem CID56917087
Molecular FormulaC17H28ClN5O
Molecular Weight353.90 g/mol
Exact Mass353.20
IUPAC Name3-(3-chloro-1H-1,2,4-triazol-5-yl)-N-[1-(cyclohexylmethyl)piperidin-3-yl]propanamide
SMILESO=C(CCc1nc(Cl)n[nH]1)NC1CCCN(CC2CCCCC2)C1
InChIInChI=1S/C17H28ClN5O/c18-17-20-15(21-22-17)8-9-16(24)19-14-7-4-10-23(12-14)11-13-5-2-1-3-6-13/h13-14H,1-12H2,(H,19,24)(H,20,21,22)
InChIKeyZJXJOOWYHQGPCC-UHFFFAOYSA-N
XLogP2.55
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.90
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-N-[1-(1-ethyl-1H-1,2,4-triazol-5-yl)ethyl]-4-piperidinecarboxamide
CID 72888150
4-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-4-oxo-N-propylbutanamide
CID 75463312
cyclohexyl[3-(5-ethyl-4H-1,2,4-triazol-3-yl)piperidino]methanone
CID 53192128
Cyclohexyl[3-(5-cyclopropyl-4H-1,2,4-triazol-3-YL)piperidino]methanone
CID 53192219
n-[(3s,4s)-4-(3-Methyl-1h-1,2,4-triazol-5-yl)piperidin-3-yl]cyclopropanecarboxamide
CID 86820534
N-[(3S,4S)-1-(cyclohexylmethyl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-3-yl]oxane-4-carboxamide
CID 91921070
cyclopentyl-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 110194773
N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-piperidin-1-ylcyclohexanecarboxamide
CID 77087331
(3S)-1-cycloheptyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 97132151
N-(1-(1-(L-alanyl)piperidin-4-yl)ethyl)-3-methyl-1H-1,2,4-triazole-5-carboxamide
CID 132227915
[3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(4,4-difluoropyrrolidin-2-yl)methanone;hydrochloride
CID 120955494
[3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(4,4-difluoropyrrolidin-2-yl)methanone
CID 120955495

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-1H-1,2,4-triazol-5-yl)-N-[1-(cyclohexylmethyl)piperidin-3-yl]propanamide?
The IUPAC name of 3-(3-chloro-1H-1,2,4-triazol-5-yl)-N-[1-(cyclohexylmethyl)piperidin-3-yl]propanamide (CID 56917087) is 3-(3-chloro-1H-1,2,4-triazol-5-yl)-N-[1-(cyclohexylmethyl)piperidin-3-yl]propanamide.
What is the SMILES notation for 3-(3-chloro-1H-1,2,4-triazol-5-yl)-N-[1-(cyclohexylmethyl)piperidin-3-yl]propanamide?
The canonical SMILES for 3-(3-chloro-1H-1,2,4-triazol-5-yl)-N-[1-(cyclohexylmethyl)piperidin-3-yl]propanamide is O=C(CCc1nc(Cl)n[nH]1)NC1CCCN(CC2CCCCC2)C1.
What is the InChIKey of 3-(3-chloro-1H-1,2,4-triazol-5-yl)-N-[1-(cyclohexylmethyl)piperidin-3-yl]propanamide?
The InChIKey is ZJXJOOWYHQGPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClN5O/c18-17-20-15(21-22-17)8-9-16(24)19-14-7-4-10-23(12-14)11-13-5-2-1-3-6-13/h13-14H,1-12H2,(H,19,24)(H,20,21,22).
What are the key properties of 3-(3-chloro-1H-1,2,4-triazol-5-yl)-N-[1-(cyclohexylmethyl)piperidin-3-yl]propanamide?
3-(3-chloro-1H-1,2,4-triazol-5-yl)-N-[1-(cyclohexylmethyl)piperidin-3-yl]propanamide has a molecular weight of 353.90 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-1H-1,2,4-triazol-5-yl)-N-[1-(cyclohexylmethyl)piperidin-3-yl]propanamide is sourced from PubChem (CID 56917087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).