N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(triazol-1-yl)acetamide

C16H25N5O2 — CID 127417394

IUPACN-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(triazol-1-yl)acetamide
SMILESO=C(Cn1ccnn1)NC1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C16H25N5O2/c22-15(12-21-11-8-17-19-21)18-14-6-9-20(10-7-14)16(23)13-4-2-1-3-5-13/h8,11,13-14H,1-7,9-10,12H2,(H,18,22)
InChIKeyYLYXMLPBCBTFLA-UHFFFAOYSA-N
MW319.41 g/mol
LogP0.97
Rot. Bonds4

About N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(triazol-1-yl)acetamide

N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(triazol-1-yl)acetamide (PubChem CID 127417394) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(triazol-1-yl)acetamide
PubChem CID127417394
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC NameN-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(triazol-1-yl)acetamide
SMILESO=C(Cn1ccnn1)NC1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C16H25N5O2/c22-15(12-21-11-8-17-19-21)18-14-6-9-20(10-7-14)16(23)13-4-2-1-3-5-13/h8,11,13-14H,1-7,9-10,12H2,(H,18,22)
InChIKeyYLYXMLPBCBTFLA-UHFFFAOYSA-N
XLogP0.97
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cycloheptyl-2-(triazol-1-yl)acetamide
CID 154733961
N-[1-(2-methylpropanoyl)piperidin-4-yl]-2-(triazol-1-yl)acetamide
CID 118779238
N-(azepan-4-yl)-2-(triazol-1-yl)acetamide
CID 105059311
2-chloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]acetamide
CID 50988896
N-[(1R,2R)-2-aminocyclohexyl]-2-(triazol-1-yl)acetamide
CID 103805775
N-[[1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-2-(triazol-1-yl)acetamide
CID 118779682
N-(2-aminocyclopentyl)-2-(triazol-1-yl)acetamide
CID 115348385
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119920121
N-(2-methylpiperidin-4-yl)-2-(triazol-1-yl)acetamide
CID 106995465
1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-3-cyclopentylurea
CID 110820027
1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-(triazol-1-yl)ethanone
CID 127415975
2-(4-chlorophenyl)-N-[1-(cyclopentanecarbonyl)piperidin-4-yl]acetamide
CID 110819967

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(triazol-1-yl)acetamide?
The IUPAC name of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(triazol-1-yl)acetamide (CID 127417394) is N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(triazol-1-yl)acetamide.
What is the SMILES notation for N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(triazol-1-yl)acetamide?
The canonical SMILES for N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(triazol-1-yl)acetamide is O=C(Cn1ccnn1)NC1CCN(C(=O)C2CCCCC2)CC1.
What is the InChIKey of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(triazol-1-yl)acetamide?
The InChIKey is YLYXMLPBCBTFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c22-15(12-21-11-8-17-19-21)18-14-6-9-20(10-7-14)16(23)13-4-2-1-3-5-13/h8,11,13-14H,1-7,9-10,12H2,(H,18,22).
What are the key properties of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(triazol-1-yl)acetamide?
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(triazol-1-yl)acetamide has a molecular weight of 319.41 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(triazol-1-yl)acetamide is sourced from PubChem (CID 127417394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).