N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-piperidin-1-ylcyclohexane-1-carboxamide

C16H27N5O — CID 77087331

IUPACN-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-piperidin-1-ylcyclohexane-1-carboxamide
SMILESCc1nc(CNC(=O)C2(N3CCCCC3)CCCCC2)n[nH]1
InChIInChI=1S/C16H27N5O/c1-13-18-14(20-19-13)12-17-15(22)16(8-4-2-5-9-16)21-10-6-3-7-11-21/h2-12H2,1H3,(H,17,22)(H,18,19,20)
InChIKeyZZBXTNQZYBDZQS-UHFFFAOYSA-N
MW305.43 g/mol
LogP1.92
Rot. Bonds4

About N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-piperidin-1-ylcyclohexane-1-carboxamide

N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-piperidin-1-ylcyclohexane-1-carboxamide (PubChem CID 77087331) has the molecular formula C16H27N5O and a molecular weight of 305.43 g/mol. Its IUPAC name is N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-piperidin-1-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-piperidin-1-ylcyclohexane-1-carboxamide
PubChem CID77087331
Molecular FormulaC16H27N5O
Molecular Weight305.43 g/mol
Exact Mass305.22
IUPAC NameN-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-piperidin-1-ylcyclohexane-1-carboxamide
SMILESCc1nc(CNC(=O)C2(N3CCCCC3)CCCCC2)n[nH]1
InChIInChI=1S/C16H27N5O/c1-13-18-14(20-19-13)12-17-15(22)16(8-4-2-5-9-16)21-10-6-3-7-11-21/h2-12H2,1H3,(H,17,22)(H,18,19,20)
InChIKeyZZBXTNQZYBDZQS-UHFFFAOYSA-N
XLogP1.92
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-piperidin-1-ylcyclohexane-1-carboxamide with MolForge

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Related Compounds

3-amino-N-[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1H-1,2,4-triazole-5-carboxamide
CID 44280876
3-amino-N-[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1H-1,2,4-triazole-5-carboxamide
CID 44280877
3-(3-chloro-1H-1,2,4-triazol-5-yl)-N-[1-(cyclohexylmethyl)piperidin-3-yl]propanamide
CID 56917087
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-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-4-ethylcyclohexanecarboxamide
CID 50980478
N-[(5-amino-1H-1,2,4-triazol-3-yl)methyl]-1-morpholin-4-ylcyclohexanecarboxamide
CID 91768434
3-[2-[(3S)-3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 97339539
N-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-1-piperidin-1-ylcyclohexane-1-carboxamide
CID 100221904
N-[2-(5-amino-1H-1,2,4-triazol-3-yl)ethyl]-1-morpholin-4-ylcyclohexanecarboxamide
CID 122556081
(2R)-2-acetamido-N-[(3-tert-butyl-1H-1,2,4-triazol-5-yl)methyl]-3-cyclobutylpropanamide
CID 137995790
N-(1-(1-(L-alanyl)piperidin-4-yl)ethyl)-3-methyl-1H-1,2,4-triazole-5-carboxamide
CID 132227915

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-piperidin-1-ylcyclohexane-1-carboxamide?
The IUPAC name of N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-piperidin-1-ylcyclohexane-1-carboxamide (CID 77087331) is N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-piperidin-1-ylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-piperidin-1-ylcyclohexane-1-carboxamide?
The canonical SMILES for N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-piperidin-1-ylcyclohexane-1-carboxamide is Cc1nc(CNC(=O)C2(N3CCCCC3)CCCCC2)n[nH]1.
What is the InChIKey of N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-piperidin-1-ylcyclohexane-1-carboxamide?
The InChIKey is ZZBXTNQZYBDZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O/c1-13-18-14(20-19-13)12-17-15(22)16(8-4-2-5-9-16)21-10-6-3-7-11-21/h2-12H2,1H3,(H,17,22)(H,18,19,20).
What are the key properties of N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-piperidin-1-ylcyclohexane-1-carboxamide?
N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-piperidin-1-ylcyclohexane-1-carboxamide has a molecular weight of 305.43 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-piperidin-1-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 77087331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).