(1-pyrrolidin-1-ylcyclopentyl)-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone

C17H27N5O — CID 131923801

IUPAC(1-pyrrolidin-1-ylcyclopentyl)-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(N1CCCC(c2ncn[nH]2)C1)C1(N2CCCC2)CCCC1
InChIInChI=1S/C17H27N5O/c23-16(17(7-1-2-8-17)22-10-3-4-11-22)21-9-5-6-14(12-21)15-18-13-19-20-15/h13-14H,1-12H2,(H,18,19,20)
InChIKeyJRPCZXZDAGCEBG-UHFFFAOYSA-N
MW317.44 g/mol
LogP1.92
Rot. Bonds3

About (1-pyrrolidin-1-ylcyclopentyl)-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone

(1-pyrrolidin-1-ylcyclopentyl)-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone (PubChem CID 131923801) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is (1-pyrrolidin-1-ylcyclopentyl)-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-pyrrolidin-1-ylcyclopentyl)-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
PubChem CID131923801
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC Name(1-pyrrolidin-1-ylcyclopentyl)-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(N1CCCC(c2ncn[nH]2)C1)C1(N2CCCC2)CCCC1
InChIInChI=1S/C17H27N5O/c23-16(17(7-1-2-8-17)22-10-3-4-11-22)21-9-5-6-14(12-21)15-18-13-19-20-15/h13-14H,1-12H2,(H,18,19,20)
InChIKeyJRPCZXZDAGCEBG-UHFFFAOYSA-N
XLogP1.92
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-hydroxycyclohexyl)-[3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
CID 128894652
tert-butyl 3-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxylate
CID 57080110
[(3R)-3-anilinopiperidin-1-yl]-(1-pyrrolidin-1-ylcyclopentyl)methanone
CID 42460035
pyrrolidin-2-yl-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone;dihydrochloride
CID 119889273
4-(azepan-1-yl)-1-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]butan-1-one
CID 131940874
[1-[(3-fluorophenyl)methyl]cyclohexyl]-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 126810198
2-morpholin-4-yl-1-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone
CID 90650699
(3R)-N-(3,4-dichlorophenyl)-3-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
CID 95788981
(3S)-N-(2,3-dihydro-1-benzofuran-5-yl)-3-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
CID 95788984
[1-(4-methylbenzoyl)piperidin-4-yl]-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 131918079
1-methyl-3-[2-oxo-2-[(3S)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethyl]imidazolidin-2-one
CID 126438932
6-[(3R)-3-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione
CID 99947738

Frequently Asked Questions

What is the IUPAC name of (1-pyrrolidin-1-ylcyclopentyl)-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (1-pyrrolidin-1-ylcyclopentyl)-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone (CID 131923801) is (1-pyrrolidin-1-ylcyclopentyl)-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-pyrrolidin-1-ylcyclopentyl)-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (1-pyrrolidin-1-ylcyclopentyl)-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone is O=C(N1CCCC(c2ncn[nH]2)C1)C1(N2CCCC2)CCCC1.
What is the InChIKey of (1-pyrrolidin-1-ylcyclopentyl)-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is JRPCZXZDAGCEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O/c23-16(17(7-1-2-8-17)22-10-3-4-11-22)21-9-5-6-14(12-21)15-18-13-19-20-15/h13-14H,1-12H2,(H,18,19,20).
What are the key properties of (1-pyrrolidin-1-ylcyclopentyl)-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
(1-pyrrolidin-1-ylcyclopentyl)-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 317.44 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-pyrrolidin-1-ylcyclopentyl)-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 131923801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).