(3R)-N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide

C16H24N8O — CID 124617527

IUPAC(3R)-N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
SMILESO=C(Nc1ncn(C2CCCCC2)n1)N1CCC[C@@H](n2cncn2)C1
InChIInChI=1S/C16H24N8O/c25-16(22-8-4-7-14(9-22)23-11-17-10-19-23)20-15-18-12-24(21-15)13-5-2-1-3-6-13/h10-14H,1-9H2,(H,20,21,25)/t14-/m1/s1
InChIKeyWKLMMIDKBMJLFN-CQSZACIVSA-N
MW344.42 g/mol
LogP2.24
Rot. Bonds3

About (3R)-N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide

(3R)-N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide (PubChem CID 124617527) has the molecular formula C16H24N8O and a molecular weight of 344.42 g/mol. Its IUPAC name is (3R)-N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
PubChem CID124617527
Molecular FormulaC16H24N8O
Molecular Weight344.42 g/mol
Exact Mass344.21
IUPAC Name(3R)-N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
SMILESO=C(Nc1ncn(C2CCCCC2)n1)N1CCC[C@@H](n2cncn2)C1
InChIInChI=1S/C16H24N8O/c25-16(22-8-4-7-14(9-22)23-11-17-10-19-23)20-15-18-12-24(21-15)13-5-2-1-3-6-13/h10-14H,1-9H2,(H,20,21,25)/t14-/m1/s1
InChIKeyWKLMMIDKBMJLFN-CQSZACIVSA-N
XLogP2.24
TPSA93.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3R)-N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide with MolForge

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Related Compounds

1-[(1-cyclohexyl-1,2,4-triazol-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122089762
(3R)-N-[2-(dimethylamino)pyrimidin-5-yl]-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
CID 124590792
(3S)-N-(2,5-diethylphenyl)-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
CID 124721744
[(1R,2R)-2-cyclohexylcyclopropyl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 95776605
4-[3-(1,2,4-triazol-1-yl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120673516
[(2S)-1-methylsulfonylpiperidin-2-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 100840617
(3R)-N-(4-ethyl-3-fluorophenyl)-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
CID 124594461
(3S)-N-[3-(2-fluoroethoxy)phenyl]-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
CID 124570047
[(3R)-1,1-dioxothiolan-3-yl]-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 95761323
2,3-dihydro-1H-inden-5-yl-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 95736385
N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-ethyl-3-hydroxypyrrolidine-1-carboxamide
CID 127949949
(2,5-dimethylthiophen-3-yl)-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 86768302

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide?
The IUPAC name of (3R)-N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide (CID 124617527) is (3R)-N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide is O=C(Nc1ncn(C2CCCCC2)n1)N1CCC[C@@H](n2cncn2)C1.
What is the InChIKey of (3R)-N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide?
The InChIKey is WKLMMIDKBMJLFN-CQSZACIVSA-N. The full InChI is InChI=1S/C16H24N8O/c25-16(22-8-4-7-14(9-22)23-11-17-10-19-23)20-15-18-12-24(21-15)13-5-2-1-3-6-13/h10-14H,1-9H2,(H,20,21,25)/t14-/m1/s1.
What are the key properties of (3R)-N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide?
(3R)-N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 124617527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).