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

C17H29N5O — CID 25297174

IUPACN-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESO=C(CCn1cncn1)N[C@H]1CCCN(CC2CCCCC2)C1
InChIInChI=1S/C17H29N5O/c23-17(8-10-22-14-18-13-19-22)20-16-7-4-9-21(12-16)11-15-5-2-1-3-6-15/h13-16H,1-12H2,(H,20,23)/t16-/m0/s1
InChIKeyLXCMCWRSZATQSQ-INIZCTEOSA-N
MW319.45 g/mol
LogP1.83
Rot. Bonds6

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

N-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 25297174) has the molecular formula C17H29N5O and a molecular weight of 319.45 g/mol. Its IUPAC name is N-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID25297174
Molecular FormulaC17H29N5O
Molecular Weight319.45 g/mol
Exact Mass319.24
IUPAC NameN-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESO=C(CCn1cncn1)N[C@H]1CCCN(CC2CCCCC2)C1
InChIInChI=1S/C17H29N5O/c23-17(8-10-22-14-18-13-19-22)20-16-7-4-9-21(12-16)11-15-5-2-1-3-6-15/h13-16H,1-12H2,(H,20,23)/t16-/m0/s1
InChIKeyLXCMCWRSZATQSQ-INIZCTEOSA-N
XLogP1.83
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-3-(1,2,4-triazol-1-yl)propanamide (CID 25297174) is N-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-3-(1,2,4-triazol-1-yl)propanamide is O=C(CCn1cncn1)N[C@H]1CCCN(CC2CCCCC2)C1.
What is the InChIKey of N-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is LXCMCWRSZATQSQ-INIZCTEOSA-N. The full InChI is InChI=1S/C17H29N5O/c23-17(8-10-22-14-18-13-19-22)20-16-7-4-9-21(12-16)11-15-5-2-1-3-6-15/h13-16H,1-12H2,(H,20,23)/t16-/m0/s1.
What are the key properties of N-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-3-(1,2,4-triazol-1-yl)propanamide?
N-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 319.45 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 25297174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).