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

C16H27N5O — CID 45205798

IUPACN-[1-(cyclohexylmethyl)piperidin-3-yl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cncn1)NC1CCCN(CC2CCCCC2)C1
InChIInChI=1S/C16H27N5O/c22-16(11-21-13-17-12-18-21)19-15-7-4-8-20(10-15)9-14-5-2-1-3-6-14/h12-15H,1-11H2,(H,19,22)
InChIKeySXDKVZZNIHZKBK-UHFFFAOYSA-N
MW305.43 g/mol
LogP1.44
Rot. Bonds5

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

N-[1-(cyclohexylmethyl)piperidin-3-yl]-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 45205798) has the molecular formula C16H27N5O and a molecular weight of 305.43 g/mol. Its IUPAC name is N-[1-(cyclohexylmethyl)piperidin-3-yl]-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(cyclohexylmethyl)piperidin-3-yl]-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID45205798
Molecular FormulaC16H27N5O
Molecular Weight305.43 g/mol
Exact Mass305.22
IUPAC NameN-[1-(cyclohexylmethyl)piperidin-3-yl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cncn1)NC1CCCN(CC2CCCCC2)C1
InChIInChI=1S/C16H27N5O/c22-16(11-21-13-17-12-18-21)19-15-7-4-8-20(10-15)9-14-5-2-1-3-6-14/h12-15H,1-11H2,(H,19,22)
InChIKeySXDKVZZNIHZKBK-UHFFFAOYSA-N
XLogP1.44
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methylpiperidin-1-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 45823979
N-(2-piperidin-1-ylethyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 45893430
N-(1-ethylpiperidin-4-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 53575276
N-(1-cyclopropylpiperidin-4-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 53575294
N-(1-ethylpiperidin-4-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 53587759
N-(dicyclopropylmethyl)-2-[2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 53593797
N-(2-acetamidoethyl)-2-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 56802650
N-(2-acetamidoethyl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 72043970
(2S,3aR,7aS)-1-acetyl-N-cyclopropyl-2-(1,2,4-triazol-1-ylmethyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine-5-carboxamide
CID 97386848
N-(3-methylcyclohexyl)-2-(tetrazol-1-yl)acetamide
CID 45810314
N-(dicyclopropylmethyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 47020126
N-(2,3-dimethylcyclohexyl)-2-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propanamide
CID 53609517

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexylmethyl)piperidin-3-yl]-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-[1-(cyclohexylmethyl)piperidin-3-yl]-2-(1,2,4-triazol-1-yl)acetamide (CID 45205798) is N-[1-(cyclohexylmethyl)piperidin-3-yl]-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-[1-(cyclohexylmethyl)piperidin-3-yl]-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-[1-(cyclohexylmethyl)piperidin-3-yl]-2-(1,2,4-triazol-1-yl)acetamide is O=C(Cn1cncn1)NC1CCCN(CC2CCCCC2)C1.
What is the InChIKey of N-[1-(cyclohexylmethyl)piperidin-3-yl]-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is SXDKVZZNIHZKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O/c22-16(11-21-13-17-12-18-21)19-15-7-4-8-20(10-15)9-14-5-2-1-3-6-14/h12-15H,1-11H2,(H,19,22).
What are the key properties of N-[1-(cyclohexylmethyl)piperidin-3-yl]-2-(1,2,4-triazol-1-yl)acetamide?
N-[1-(cyclohexylmethyl)piperidin-3-yl]-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 305.43 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexylmethyl)piperidin-3-yl]-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 45205798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).