N-[1-(2-chlorobenzoyl)piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

C20H26ClN3O3 — CID 108552516

IUPACN-[1-(2-chlorobenzoyl)piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)N1CC(C(=O)NC2CCN(C(=O)c3ccccc3Cl)CC2)CC1=O
InChIInChI=1S/C20H26ClN3O3/c1-13(2)24-12-14(11-18(24)25)19(26)22-15-7-9-23(10-8-15)20(27)16-5-3-4-6-17(16)21/h3-6,13-15H,7-12H2,1-2H3,(H,22,26)
InChIKeyWQWOFCSBYHYEMW-UHFFFAOYSA-N
MW391.90 g/mol
LogP2.32
Rot. Bonds4

About N-[1-(2-chlorobenzoyl)piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

N-[1-(2-chlorobenzoyl)piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 108552516) has the molecular formula C20H26ClN3O3 and a molecular weight of 391.90 g/mol. Its IUPAC name is N-[1-(2-chlorobenzoyl)piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-chlorobenzoyl)piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID108552516
Molecular FormulaC20H26ClN3O3
Molecular Weight391.90 g/mol
Exact Mass391.17
IUPAC NameN-[1-(2-chlorobenzoyl)piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)N1CC(C(=O)NC2CCN(C(=O)c3ccccc3Cl)CC2)CC1=O
InChIInChI=1S/C20H26ClN3O3/c1-13(2)24-12-14(11-18(24)25)19(26)22-15-7-9-23(10-8-15)20(27)16-5-3-4-6-17(16)21/h3-6,13-15H,7-12H2,1-2H3,(H,22,26)
InChIKeyWQWOFCSBYHYEMW-UHFFFAOYSA-N
XLogP2.32
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.90
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[1-(2-chlorobenzoyl)piperidin-4-yl]propanamide
CID 108564176
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 108552495
1-(2-chlorobenzoyl)-N-cyclopentylpiperidine-4-carboxamide
CID 1072799
(2-chlorophenyl)-[4-(propan-2-ylamino)piperidin-1-yl]methanone
CID 90380560
1-(2-chlorobenzoyl)-N-cyclohexylpiperidine-4-carboxamide
CID 1072829
N,N-diethyl-4-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]piperidine-1-carboxamide
CID 108560686
N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 108552532
N-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 108552552
1-tert-butyl-5-oxo-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide
CID 108552376
(2-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 83728656
N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 108552579
(3S)-N-[2-(cyclopentylcarbamoyl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 7477639

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorobenzoyl)piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-[1-(2-chlorobenzoyl)piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (CID 108552516) is N-[1-(2-chlorobenzoyl)piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-(2-chlorobenzoyl)piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-(2-chlorobenzoyl)piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is CC(C)N1CC(C(=O)NC2CCN(C(=O)c3ccccc3Cl)CC2)CC1=O.
What is the InChIKey of N-[1-(2-chlorobenzoyl)piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is WQWOFCSBYHYEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O3/c1-13(2)24-12-14(11-18(24)25)19(26)22-15-7-9-23(10-8-15)20(27)16-5-3-4-6-17(16)21/h3-6,13-15H,7-12H2,1-2H3,(H,22,26).
What are the key properties of N-[1-(2-chlorobenzoyl)piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
N-[1-(2-chlorobenzoyl)piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 391.90 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorobenzoyl)piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 108552516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).