N-[[(3S)-1-cyclohexylpiperidin-3-yl]methyl]-2-(triazol-1-yl)acetamide

C16H27N5O — CID 125178566

IUPACN-[[(3S)-1-cyclohexylpiperidin-3-yl]methyl]-2-(triazol-1-yl)acetamide
SMILESO=C(Cn1ccnn1)NC[C@@H]1CCCN(C2CCCCC2)C1
InChIInChI=1S/C16H27N5O/c22-16(13-21-10-8-18-19-21)17-11-14-5-4-9-20(12-14)15-6-2-1-3-7-15/h8,10,14-15H,1-7,9,11-13H2,(H,17,22)/t14-/m0/s1
InChIKeyUKTHXQYFUBPQQF-AWEZNQCLSA-N
MW305.43 g/mol
LogP1.44
Rot. Bonds5

About N-[[(3S)-1-cyclohexylpiperidin-3-yl]methyl]-2-(triazol-1-yl)acetamide

N-[[(3S)-1-cyclohexylpiperidin-3-yl]methyl]-2-(triazol-1-yl)acetamide (PubChem CID 125178566) has the molecular formula C16H27N5O and a molecular weight of 305.43 g/mol. Its IUPAC name is N-[[(3S)-1-cyclohexylpiperidin-3-yl]methyl]-2-(triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[[(3S)-1-cyclohexylpiperidin-3-yl]methyl]-2-(triazol-1-yl)acetamide
PubChem CID125178566
Molecular FormulaC16H27N5O
Molecular Weight305.43 g/mol
Exact Mass305.22
IUPAC NameN-[[(3S)-1-cyclohexylpiperidin-3-yl]methyl]-2-(triazol-1-yl)acetamide
SMILESO=C(Cn1ccnn1)NC[C@@H]1CCCN(C2CCCCC2)C1
InChIInChI=1S/C16H27N5O/c22-16(13-21-10-8-18-19-21)17-11-14-5-4-9-20(12-14)15-6-2-1-3-7-15/h8,10,14-15H,1-7,9,11-13H2,(H,17,22)/t14-/m0/s1
InChIKeyUKTHXQYFUBPQQF-AWEZNQCLSA-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-[(1-acetylpiperidin-3-yl)methyl]-2-(triazol-1-yl)acetamide
CID 119075119
N-[[1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-2-(triazol-1-yl)acetamide
CID 118779682
N-[[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-2-(triazol-1-yl)acetamide
CID 126453543
N-[[(3S)-1-cycloheptylpiperidin-3-yl]methyl]-3-(tetrazol-1-yl)propanamide
CID 95225748
2-[[[2-(triazol-1-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115348218
5-[[(3S)-1-cyclopentylpiperidin-3-yl]methylamino]-5-oxopentanoic acid
CID 125441266
N-cycloheptyl-2-(triazol-1-yl)acetamide
CID 154733961
N-(pyrrolidin-2-ylmethyl)-2-(triazol-1-yl)acetamide
CID 81478292
2-[(1-cycloheptylpiperidin-3-yl)methylamino]acetic acid
CID 106814208
3-(3-chloro-1,2-oxazol-5-yl)-N-[[(3S)-1-cyclopentylpiperidin-3-yl]methyl]propanamide
CID 95227066
N-[(1-cyclohexylpiperidin-3-yl)methyl]ethanamine
CID 63849672
N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 92578515

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-cyclohexylpiperidin-3-yl]methyl]-2-(triazol-1-yl)acetamide?
The IUPAC name of N-[[(3S)-1-cyclohexylpiperidin-3-yl]methyl]-2-(triazol-1-yl)acetamide (CID 125178566) is N-[[(3S)-1-cyclohexylpiperidin-3-yl]methyl]-2-(triazol-1-yl)acetamide.
What is the SMILES notation for N-[[(3S)-1-cyclohexylpiperidin-3-yl]methyl]-2-(triazol-1-yl)acetamide?
The canonical SMILES for N-[[(3S)-1-cyclohexylpiperidin-3-yl]methyl]-2-(triazol-1-yl)acetamide is O=C(Cn1ccnn1)NC[C@@H]1CCCN(C2CCCCC2)C1.
What is the InChIKey of N-[[(3S)-1-cyclohexylpiperidin-3-yl]methyl]-2-(triazol-1-yl)acetamide?
The InChIKey is UKTHXQYFUBPQQF-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H27N5O/c22-16(13-21-10-8-18-19-21)17-11-14-5-4-9-20(12-14)15-6-2-1-3-7-15/h8,10,14-15H,1-7,9,11-13H2,(H,17,22)/t14-/m0/s1.
What are the key properties of N-[[(3S)-1-cyclohexylpiperidin-3-yl]methyl]-2-(triazol-1-yl)acetamide?
N-[[(3S)-1-cyclohexylpiperidin-3-yl]methyl]-2-(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-[[(3S)-1-cyclohexylpiperidin-3-yl]methyl]-2-(triazol-1-yl)acetamide is sourced from PubChem (CID 125178566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).