[1-(1-cyclopentylpiperidin-3-yl)triazol-4-yl]-piperidin-1-ylmethanone

C18H29N5O — CID 45215437

IUPAC[1-(1-cyclopentylpiperidin-3-yl)triazol-4-yl]-piperidin-1-ylmethanone
SMILESO=C(c1cn(C2CCCN(C3CCCC3)C2)nn1)N1CCCCC1
InChIInChI=1S/C18H29N5O/c24-18(21-10-4-1-5-11-21)17-14-23(20-19-17)16-9-6-12-22(13-16)15-7-2-3-8-15/h14-16H,1-13H2
InChIKeyROUSEQUPHUJHQM-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.48
Rot. Bonds3

About [1-(1-cyclopentylpiperidin-3-yl)triazol-4-yl]-piperidin-1-ylmethanone

[1-(1-cyclopentylpiperidin-3-yl)triazol-4-yl]-piperidin-1-ylmethanone (PubChem CID 45215437) has the molecular formula C18H29N5O and a molecular weight of 331.46 g/mol. Its IUPAC name is [1-(1-cyclopentylpiperidin-3-yl)triazol-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(1-cyclopentylpiperidin-3-yl)triazol-4-yl]-piperidin-1-ylmethanone
PubChem CID45215437
Molecular FormulaC18H29N5O
Molecular Weight331.46 g/mol
Exact Mass331.24
IUPAC Name[1-(1-cyclopentylpiperidin-3-yl)triazol-4-yl]-piperidin-1-ylmethanone
SMILESO=C(c1cn(C2CCCN(C3CCCC3)C2)nn1)N1CCCCC1
InChIInChI=1S/C18H29N5O/c24-18(21-10-4-1-5-11-21)17-14-23(20-19-17)16-9-6-12-22(13-16)15-7-2-3-8-15/h14-16H,1-13H2
InChIKeyROUSEQUPHUJHQM-UHFFFAOYSA-N
XLogP2.48
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(1-cycloheptylpiperidin-4-yl)triazol-4-yl]-piperidin-1-ylmethanone
CID 26318869
(1-cyclohexyltriazol-4-yl)-[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]methanone
CID 25381434
(1-cyclohexyltriazol-4-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 45191024
1-[(3R)-1-cyclobutylpyrrolidin-3-yl]triazole-4-carboxylic acid
CID 129493827
(1-cyclohexyltriazol-4-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 56912845
tert-butyl 3-[4-(aziridine-1-carbonyl)triazol-1-yl]piperidine-1-carboxylate
CID 103954440
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[1-(azetidin-3-yl)triazol-4-yl]methanone
CID 79318684
(3S)-1-[1-(azetidin-3-yl)triazole-4-carbonyl]piperidine-3-carboxylic acid
CID 81126368
piperidin-1-yl-[1-[1-(pyridin-2-ylmethyl)piperidin-3-yl]triazol-4-yl]methanone
CID 45167027
[1-[1-(3-phenylpropyl)piperidin-3-yl]triazol-4-yl]-piperidin-1-ylmethanone
CID 45216946
[1-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]triazol-4-yl]-pyrrolidin-1-ylmethanone
CID 42319702
[1-[(3R)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]triazol-4-yl]-piperidin-1-ylmethanone
CID 42168076

Frequently Asked Questions

What is the IUPAC name of [1-(1-cyclopentylpiperidin-3-yl)triazol-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-(1-cyclopentylpiperidin-3-yl)triazol-4-yl]-piperidin-1-ylmethanone (CID 45215437) is [1-(1-cyclopentylpiperidin-3-yl)triazol-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-(1-cyclopentylpiperidin-3-yl)triazol-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-(1-cyclopentylpiperidin-3-yl)triazol-4-yl]-piperidin-1-ylmethanone is O=C(c1cn(C2CCCN(C3CCCC3)C2)nn1)N1CCCCC1.
What is the InChIKey of [1-(1-cyclopentylpiperidin-3-yl)triazol-4-yl]-piperidin-1-ylmethanone?
The InChIKey is ROUSEQUPHUJHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O/c24-18(21-10-4-1-5-11-21)17-14-23(20-19-17)16-9-6-12-22(13-16)15-7-2-3-8-15/h14-16H,1-13H2.
What are the key properties of [1-(1-cyclopentylpiperidin-3-yl)triazol-4-yl]-piperidin-1-ylmethanone?
[1-(1-cyclopentylpiperidin-3-yl)triazol-4-yl]-piperidin-1-ylmethanone has a molecular weight of 331.46 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-cyclopentylpiperidin-3-yl)triazol-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 45215437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).