N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-(1,2,4-triazol-1-yl)acetamide

C15H25N5O — CID 92578515

IUPACN-[(1-cyclopentylpiperidin-4-yl)methyl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cncn1)NCC1CCN(C2CCCC2)CC1
InChIInChI=1S/C15H25N5O/c21-15(10-20-12-16-11-18-20)17-9-13-5-7-19(8-6-13)14-3-1-2-4-14/h11-14H,1-10H2,(H,17,21)
InChIKeyTZFCUQALHRXPAG-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.05
Rot. Bonds5

About N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-(1,2,4-triazol-1-yl)acetamide

N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 92578515) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1-cyclopentylpiperidin-4-yl)methyl]-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID92578515
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC NameN-[(1-cyclopentylpiperidin-4-yl)methyl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cncn1)NCC1CCN(C2CCCC2)CC1
InChIInChI=1S/C15H25N5O/c21-15(10-20-12-16-11-18-20)17-9-13-5-7-19(8-6-13)14-3-1-2-4-14/h11-14H,1-10H2,(H,17,21)
InChIKeyTZFCUQALHRXPAG-UHFFFAOYSA-N
XLogP1.05
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclooctylmethyl)-4-(1,2,4-triazol-1-yl)butanamide
CID 87042127
N-[(1-phenylpyrrolidin-2-yl)methyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 90619889
N-[[(3S)-1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 95204127
N-[(1-cyclopentylpiperidin-4-yl)methyl]-2,2-dimethylpropanamide
CID 16895618
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 104971914
N-[[(3S)-1-cyclohexylpiperidin-3-yl]methyl]-2-(triazol-1-yl)acetamide
CID 125178566
tert-butyl N-[(1S,2S)-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]cyclohexyl]carbamate
CID 94639619
N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-(4-ethoxyphenyl)acetamide
CID 16895629
N-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-propan-2-yloxamide
CID 16886799
N-[(1-cyclohexylpyrrolidin-3-yl)methyl]pyrimidine-5-carboxamide
CID 122564823
N-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-(2-methylpropyl)oxamide
CID 16886802
N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-3-methoxypropanamide
CID 125446366

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-(1,2,4-triazol-1-yl)acetamide (CID 92578515) is N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-(1,2,4-triazol-1-yl)acetamide is O=C(Cn1cncn1)NCC1CCN(C2CCCC2)CC1.
What is the InChIKey of N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is TZFCUQALHRXPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c21-15(10-20-12-16-11-18-20)17-9-13-5-7-19(8-6-13)14-3-1-2-4-14/h11-14H,1-10H2,(H,17,21).
What are the key properties of N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-(1,2,4-triazol-1-yl)acetamide?
N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 291.40 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 92578515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).