1-[1-(4-ethylbenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide

C19H27N3O2 — CID 51101239

IUPAC1-[1-(4-ethylbenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide
SMILESCCc1ccc(C(=O)N2CCC(N3CCCC3C(N)=O)CC2)cc1
InChIInChI=1S/C19H27N3O2/c1-2-14-5-7-15(8-6-14)19(24)21-12-9-16(10-13-21)22-11-3-4-17(22)18(20)23/h5-8,16-17H,2-4,9-13H2,1H3,(H2,20,23)
InChIKeyKRAAWMIOGISXSO-UHFFFAOYSA-N
MW329.44 g/mol
LogP1.80
Rot. Bonds4

About 1-[1-(4-ethylbenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide

1-[1-(4-ethylbenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide (PubChem CID 51101239) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-[1-(4-ethylbenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[1-(4-ethylbenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide
PubChem CID51101239
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name1-[1-(4-ethylbenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide
SMILESCCc1ccc(C(=O)N2CCC(N3CCCC3C(N)=O)CC2)cc1
InChIInChI=1S/C19H27N3O2/c1-2-14-5-7-15(8-6-14)19(24)21-12-9-16(10-13-21)22-11-3-4-17(22)18(20)23/h5-8,16-17H,2-4,9-13H2,1H3,(H2,20,23)
InChIKeyKRAAWMIOGISXSO-UHFFFAOYSA-N
XLogP1.80
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[1-(4-phenylmethoxybenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 52500753
(2R)-1-[1-(3-methoxy-4-methylbenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 94822612
1-[1-(2-methylbenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 51101219
1-[1-[4-(3-chlorophenoxy)benzoyl]piperidin-4-yl]pyrrolidine-2-carboxamide
CID 86882609
(2R)-1-[1-(2-ethoxypyridine-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 95149907
1-(4-ethylbenzoyl)-N'-hydroxypyrrolidine-2-carboximidamide
CID 77035991
[4-(difluoromethyl)piperidin-1-yl]-(4-ethylphenyl)methanone
CID 118929982
1-[1-(5-fluoro-1-benzofuran-2-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 139002167
2-amino-1-[4-(4-ethylbenzoyl)piperazin-1-yl]ethanone
CID 119292854
cyclopentyl-[4-(4-ethylbenzoyl)piperazin-1-yl]methanone
CID 84546397
(4-cyclobutyl-1,4-diazepan-1-yl)-(4-ethylphenyl)methanone
CID 131702217
(2S)-1-[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 95765435

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-ethylbenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[1-(4-ethylbenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide (CID 51101239) is 1-[1-(4-ethylbenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[1-(4-ethylbenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[1-(4-ethylbenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide is CCc1ccc(C(=O)N2CCC(N3CCCC3C(N)=O)CC2)cc1.
What is the InChIKey of 1-[1-(4-ethylbenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide?
The InChIKey is KRAAWMIOGISXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-2-14-5-7-15(8-6-14)19(24)21-12-9-16(10-13-21)22-11-3-4-17(22)18(20)23/h5-8,16-17H,2-4,9-13H2,1H3,(H2,20,23).
What are the key properties of 1-[1-(4-ethylbenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide?
1-[1-(4-ethylbenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-ethylbenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 51101239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).