N-benzyl-N-(2-hydroxyethyl)-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide

C22H31N3O4 — CID 24792018

IUPACN-benzyl-N-(2-hydroxyethyl)-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
SMILESO=C1CCCN1CCCN1CC(C(=O)N(CCO)Cc2ccccc2)CCC1=O
InChIInChI=1S/C22H31N3O4/c26-15-14-25(16-18-6-2-1-3-7-18)22(29)19-9-10-21(28)24(17-19)13-5-12-23-11-4-8-20(23)27/h1-3,6-7,19,26H,4-5,8-17H2
InChIKeyCREUKIKEGMTDOV-UHFFFAOYSA-N
MW401.51 g/mol
LogP1.26
Rot. Bonds9

About N-benzyl-N-(2-hydroxyethyl)-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide

N-benzyl-N-(2-hydroxyethyl)-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide (PubChem CID 24792018) has the molecular formula C22H31N3O4 and a molecular weight of 401.51 g/mol. Its IUPAC name is N-benzyl-N-(2-hydroxyethyl)-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(2-hydroxyethyl)-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
PubChem CID24792018
Molecular FormulaC22H31N3O4
Molecular Weight401.51 g/mol
Exact Mass401.23
IUPAC NameN-benzyl-N-(2-hydroxyethyl)-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
SMILESO=C1CCCN1CCCN1CC(C(=O)N(CCO)Cc2ccccc2)CCC1=O
InChIInChI=1S/C22H31N3O4/c26-15-14-25(16-18-6-2-1-3-7-18)22(29)19-9-10-21(28)24(17-19)13-5-12-23-11-4-8-20(23)27/h1-3,6-7,19,26H,4-5,8-17H2
InChIKeyCREUKIKEGMTDOV-UHFFFAOYSA-N
XLogP1.26
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-Fluorobenzyl)-3-(1-pyrrolidinylcarbonyl)piperidine oxalate
CID 2933676
1-[3-(4-Benzhydrylpiperazin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one
CID 11144455
1-benzyl-N,N-diethyl-3-piperidinecarboxamide
CID 2838082
(1-Benzylpiperidin-4-yl)-pyrrolidin-1-ylmethanone
CID 883949
(1-(4-Methylbenzyl)piperidin-3-yl)(pyrrolidin-1-yl)methanone oxalate
CID 24747461
N-benzyl-1-cyclopropyl-N-(2-hydroxyethyl)-6-oxo-3-piperidinecarboxamide
CID 24817028
N-benzyl-1-(cyclohexylmethyl)-N-(2-hydroxyethyl)-6-oxopiperidine-3-carboxamide
CID 24790518
N-benzyl-N-(2-hydroxyethyl)-1-[3-(4-morpholinyl)propyl]-6-oxo-3-piperidinecarboxamide
CID 24794085
4-(3,5-Dimethylpiperidine-1-carbonyl)-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 24981746
N-benzyl-1-(4-fluorobenzyl)-N-(2-hydroxyethyl)-4-piperidinecarboxamide
CID 1343462
5-(1-Pyrrolidinylcarbonyl)-1-[3-(trifluoromethyl)benzyl]-2-piperidinone
CID 24793081
1-Benzyl-4-(piperidine-1-carbonyl)pyrrolidin-2-one
CID 217801

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-hydroxyethyl)-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide?
The IUPAC name of N-benzyl-N-(2-hydroxyethyl)-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide (CID 24792018) is N-benzyl-N-(2-hydroxyethyl)-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide.
What is the SMILES notation for N-benzyl-N-(2-hydroxyethyl)-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide?
The canonical SMILES for N-benzyl-N-(2-hydroxyethyl)-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide is O=C1CCCN1CCCN1CC(C(=O)N(CCO)Cc2ccccc2)CCC1=O.
What is the InChIKey of N-benzyl-N-(2-hydroxyethyl)-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide?
The InChIKey is CREUKIKEGMTDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O4/c26-15-14-25(16-18-6-2-1-3-7-18)22(29)19-9-10-21(28)24(17-19)13-5-12-23-11-4-8-20(23)27/h1-3,6-7,19,26H,4-5,8-17H2.
What are the key properties of N-benzyl-N-(2-hydroxyethyl)-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide?
N-benzyl-N-(2-hydroxyethyl)-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide has a molecular weight of 401.51 g/mol, XLogP of 1.26, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-hydroxyethyl)-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide is sourced from PubChem (CID 24792018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).