[1-[1-(3-phenylpropyl)triazole-4-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone

C22H29N5O2 — CID 42112383

IUPAC[1-[1-(3-phenylpropyl)triazole-4-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cn(CCCc2ccccc2)nn1)N1CCC(C(=O)N2CCCC2)CC1
InChIInChI=1S/C22H29N5O2/c28-21(25-12-4-5-13-25)19-10-15-26(16-11-19)22(29)20-17-27(24-23-20)14-6-9-18-7-2-1-3-8-18/h1-3,7-8,17,19H,4-6,9-16H2
InChIKeyHKEBMVGTFYFNJR-UHFFFAOYSA-N
MW395.51 g/mol
LogP2.39
Rot. Bonds6

About [1-[1-(3-phenylpropyl)triazole-4-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone

[1-[1-(3-phenylpropyl)triazole-4-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 42112383) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is [1-[1-(3-phenylpropyl)triazole-4-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[1-(3-phenylpropyl)triazole-4-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID42112383
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC Name[1-[1-(3-phenylpropyl)triazole-4-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cn(CCCc2ccccc2)nn1)N1CCC(C(=O)N2CCCC2)CC1
InChIInChI=1S/C22H29N5O2/c28-21(25-12-4-5-13-25)19-10-15-26(16-11-19)22(29)20-17-27(24-23-20)14-6-9-18-7-2-1-3-8-18/h1-3,7-8,17,19H,4-6,9-16H2
InChIKeyHKEBMVGTFYFNJR-UHFFFAOYSA-N
XLogP2.39
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-phenylmethoxypiperidin-1-yl)-[1-(3-phenylpropyl)triazol-4-yl]methanone
CID 25373504
[1-(3-phenylpropyl)triazol-4-yl]-[3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 45237482
[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-[1-(3-phenylpropyl)triazol-4-yl]methanone
CID 25374522
[(3R)-1-[1-(3-phenylpropyl)triazole-4-carbonyl]piperidin-3-yl]-thiophen-2-ylmethanone
CID 26393027
[4-[(S)-hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-[1-(3-phenylpropyl)triazol-4-yl]methanone
CID 42454113
(3-cyclohexylpyrrolidin-1-yl)-[1-(2-phenylethyl)triazol-4-yl]methanone
CID 45218231
[1-[1-(3-phenylpropyl)piperidin-3-yl]triazol-4-yl]-piperidin-1-ylmethanone
CID 45216946
[(2R)-2-(2-methoxyethyl)piperidin-1-yl]-[1-(3-phenylpropyl)triazol-4-yl]methanone
CID 42239902
[(3R)-1-[1-(2-phenylethyl)triazole-4-carbonyl]piperidin-3-yl]-thiophen-2-ylmethanone
CID 42095787
[3-(methoxymethyl)piperidin-1-yl]-[1-(2-phenylethyl)triazol-4-yl]methanone
CID 45176076
N-[2-(azepan-1-yl)-2-phenylethyl]-1-(3-phenylpropyl)triazole-4-carboxamide
CID 45186039
N-[(2R)-2-phenyl-2-piperidin-1-ylethyl]-1-(3-phenylpropyl)triazole-4-carboxamide
CID 42151013

Frequently Asked Questions

What is the IUPAC name of [1-[1-(3-phenylpropyl)triazole-4-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-[1-(3-phenylpropyl)triazole-4-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone (CID 42112383) is [1-[1-(3-phenylpropyl)triazole-4-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-[1-(3-phenylpropyl)triazole-4-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-[1-(3-phenylpropyl)triazole-4-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone is O=C(c1cn(CCCc2ccccc2)nn1)N1CCC(C(=O)N2CCCC2)CC1.
What is the InChIKey of [1-[1-(3-phenylpropyl)triazole-4-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is HKEBMVGTFYFNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c28-21(25-12-4-5-13-25)19-10-15-26(16-11-19)22(29)20-17-27(24-23-20)14-6-9-18-7-2-1-3-8-18/h1-3,7-8,17,19H,4-6,9-16H2.
What are the key properties of [1-[1-(3-phenylpropyl)triazole-4-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
[1-[1-(3-phenylpropyl)triazole-4-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 395.51 g/mol, XLogP of 2.39, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(3-phenylpropyl)triazole-4-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 42112383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).