1-[(3R)-1-[2-(cyclohexen-1-yl)acetyl]piperidin-3-yl]-1,2,4-triazole-3-carboxamide

C16H23N5O2 — CID 129490005

IUPAC1-[(3R)-1-[2-(cyclohexen-1-yl)acetyl]piperidin-3-yl]-1,2,4-triazole-3-carboxamide
SMILESNC(=O)c1ncn([C@@H]2CCCN(C(=O)CC3=CCCCC3)C2)n1
InChIInChI=1S/C16H23N5O2/c17-15(23)16-18-11-21(19-16)13-7-4-8-20(10-13)14(22)9-12-5-2-1-3-6-12/h5,11,13H,1-4,6-10H2,(H2,17,23)/t13-/m1/s1
InChIKeyMCSVNBLPBGYGRD-CYBMUJFWSA-N
MW317.39 g/mol
LogP1.43
Rot. Bonds4

About 1-[(3R)-1-[2-(cyclohexen-1-yl)acetyl]piperidin-3-yl]-1,2,4-triazole-3-carboxamide

1-[(3R)-1-[2-(cyclohexen-1-yl)acetyl]piperidin-3-yl]-1,2,4-triazole-3-carboxamide (PubChem CID 129490005) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-[(3R)-1-[2-(cyclohexen-1-yl)acetyl]piperidin-3-yl]-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-[(3R)-1-[2-(cyclohexen-1-yl)acetyl]piperidin-3-yl]-1,2,4-triazole-3-carboxamide
PubChem CID129490005
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name1-[(3R)-1-[2-(cyclohexen-1-yl)acetyl]piperidin-3-yl]-1,2,4-triazole-3-carboxamide
SMILESNC(=O)c1ncn([C@@H]2CCCN(C(=O)CC3=CCCCC3)C2)n1
InChIInChI=1S/C16H23N5O2/c17-15(23)16-18-11-21(19-16)13-7-4-8-20(10-13)14(22)9-12-5-2-1-3-6-12/h5,11,13H,1-4,6-10H2,(H2,17,23)/t13-/m1/s1
InChIKeyMCSVNBLPBGYGRD-CYBMUJFWSA-N
XLogP1.43
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(3S)-1-[2-[(2S)-oxan-2-yl]acetyl]piperidin-3-yl]-1,2,4-triazole-3-carboxamide
CID 129488706
(3S)-1-[2-(cyclohexen-1-yl)acetyl]piperidine-3-carboxylic acid
CID 81126342
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(cyclohexen-1-yl)ethanone
CID 63563096
2-(cyclohexen-1-yl)-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 86768420
2-[[1-[2-(cyclohexen-1-yl)acetyl]piperidin-3-yl]methylamino]acetic acid
CID 106813470
1-[(3S)-1-[(2S,3R)-3-methyloxolane-2-carbonyl]piperidin-3-yl]-1,2,4-triazole-3-carboxamide
CID 129490234
(3R)-3-(3-carbamoyl-1,2,4-triazol-1-yl)-N-(3-methylsulfanylpropyl)piperidine-1-carboxamide
CID 129488934
1-[(3R)-1-(4-methylthiophene-3-carbonyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide
CID 129488651
2-(cyclohexen-1-yl)-1-[(3S)-3-(4-fluoroanilino)piperidin-1-yl]ethanone
CID 25452205
1-[(3S)-1-(4-chloro-1H-pyrrole-2-carbonyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide
CID 129490144
1-[(3R)-1-(4,5-dimethylfuran-2-carbonyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide
CID 129488947
1-[(3S)-1-(2-cyclopropylethylsulfonyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide
CID 129488769

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-[2-(cyclohexen-1-yl)acetyl]piperidin-3-yl]-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-[(3R)-1-[2-(cyclohexen-1-yl)acetyl]piperidin-3-yl]-1,2,4-triazole-3-carboxamide (CID 129490005) is 1-[(3R)-1-[2-(cyclohexen-1-yl)acetyl]piperidin-3-yl]-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-[(3R)-1-[2-(cyclohexen-1-yl)acetyl]piperidin-3-yl]-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-[(3R)-1-[2-(cyclohexen-1-yl)acetyl]piperidin-3-yl]-1,2,4-triazole-3-carboxamide is NC(=O)c1ncn([C@@H]2CCCN(C(=O)CC3=CCCCC3)C2)n1.
What is the InChIKey of 1-[(3R)-1-[2-(cyclohexen-1-yl)acetyl]piperidin-3-yl]-1,2,4-triazole-3-carboxamide?
The InChIKey is MCSVNBLPBGYGRD-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H23N5O2/c17-15(23)16-18-11-21(19-16)13-7-4-8-20(10-13)14(22)9-12-5-2-1-3-6-12/h5,11,13H,1-4,6-10H2,(H2,17,23)/t13-/m1/s1.
What are the key properties of 1-[(3R)-1-[2-(cyclohexen-1-yl)acetyl]piperidin-3-yl]-1,2,4-triazole-3-carboxamide?
1-[(3R)-1-[2-(cyclohexen-1-yl)acetyl]piperidin-3-yl]-1,2,4-triazole-3-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-[2-(cyclohexen-1-yl)acetyl]piperidin-3-yl]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 129490005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).