4-N-[(2-chlorophenyl)methyl]-1-N-(2-oxopyrrolidin-3-yl)piperidine-1,4-dicarboxamide

C18H23ClN4O3 — CID 122558552

IUPAC4-N-[(2-chlorophenyl)methyl]-1-N-(2-oxopyrrolidin-3-yl)piperidine-1,4-dicarboxamide
SMILESO=C(NCc1ccccc1Cl)C1CCN(C(=O)NC2CCNC2=O)CC1
InChIInChI=1S/C18H23ClN4O3/c19-14-4-2-1-3-13(14)11-21-16(24)12-6-9-23(10-7-12)18(26)22-15-5-8-20-17(15)25/h1-4,12,15H,5-11H2,(H,20,25)(H,21,24)(H,22,26)
InChIKeyFZDJKUJFWZEIKB-UHFFFAOYSA-N
MW378.86 g/mol
LogP1.27
Rot. Bonds4

About 4-N-[(2-chlorophenyl)methyl]-1-N-(2-oxopyrrolidin-3-yl)piperidine-1,4-dicarboxamide

4-N-[(2-chlorophenyl)methyl]-1-N-(2-oxopyrrolidin-3-yl)piperidine-1,4-dicarboxamide (PubChem CID 122558552) has the molecular formula C18H23ClN4O3 and a molecular weight of 378.86 g/mol. Its IUPAC name is 4-N-[(2-chlorophenyl)methyl]-1-N-(2-oxopyrrolidin-3-yl)piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[(2-chlorophenyl)methyl]-1-N-(2-oxopyrrolidin-3-yl)piperidine-1,4-dicarboxamide
PubChem CID122558552
Molecular FormulaC18H23ClN4O3
Molecular Weight378.86 g/mol
Exact Mass378.15
IUPAC Name4-N-[(2-chlorophenyl)methyl]-1-N-(2-oxopyrrolidin-3-yl)piperidine-1,4-dicarboxamide
SMILESO=C(NCc1ccccc1Cl)C1CCN(C(=O)NC2CCNC2=O)CC1
InChIInChI=1S/C18H23ClN4O3/c19-14-4-2-1-3-13(14)11-21-16(24)12-6-9-23(10-7-12)18(26)22-15-5-8-20-17(15)25/h1-4,12,15H,5-11H2,(H,20,25)(H,21,24)(H,22,26)
InChIKeyFZDJKUJFWZEIKB-UHFFFAOYSA-N
XLogP1.27
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]cyclopropanecarboxamide
CID 899098
1-(4-chlorobenzoyl)-N-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
CID 9165314
N-[(2-chlorophenyl)methyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
CID 3448161
N-[(2-chlorophenyl)methyl]cyclobutanecarboxamide
CID 17173308
1-(2-amino-2-oxoethyl)-N-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
CID 16909154
N-[(2-chlorophenyl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110894603
N-[(2-chlorophenyl)methyl]thiane-4-carboxamide
CID 110851376
N-[(2-chlorophenyl)methyl]-1-(2-fluorophenyl)piperidine-4-carboxamide
CID 17152804
N-[2-[(2-chlorophenyl)methylamino]ethyl]cyclopropanecarboxamide
CID 113218812
N-[(2-chlorophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 53284707
N-[(2-chlorophenyl)methyl]-1-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)piperidine-4-carboxamide
CID 20886267
1-[(2-chlorophenyl)methyl]-N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide
CID 45007673

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-chlorophenyl)methyl]-1-N-(2-oxopyrrolidin-3-yl)piperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-[(2-chlorophenyl)methyl]-1-N-(2-oxopyrrolidin-3-yl)piperidine-1,4-dicarboxamide (CID 122558552) is 4-N-[(2-chlorophenyl)methyl]-1-N-(2-oxopyrrolidin-3-yl)piperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[(2-chlorophenyl)methyl]-1-N-(2-oxopyrrolidin-3-yl)piperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-[(2-chlorophenyl)methyl]-1-N-(2-oxopyrrolidin-3-yl)piperidine-1,4-dicarboxamide is O=C(NCc1ccccc1Cl)C1CCN(C(=O)NC2CCNC2=O)CC1.
What is the InChIKey of 4-N-[(2-chlorophenyl)methyl]-1-N-(2-oxopyrrolidin-3-yl)piperidine-1,4-dicarboxamide?
The InChIKey is FZDJKUJFWZEIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O3/c19-14-4-2-1-3-13(14)11-21-16(24)12-6-9-23(10-7-12)18(26)22-15-5-8-20-17(15)25/h1-4,12,15H,5-11H2,(H,20,25)(H,21,24)(H,22,26).
What are the key properties of 4-N-[(2-chlorophenyl)methyl]-1-N-(2-oxopyrrolidin-3-yl)piperidine-1,4-dicarboxamide?
4-N-[(2-chlorophenyl)methyl]-1-N-(2-oxopyrrolidin-3-yl)piperidine-1,4-dicarboxamide has a molecular weight of 378.86 g/mol, XLogP of 1.27, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-chlorophenyl)methyl]-1-N-(2-oxopyrrolidin-3-yl)piperidine-1,4-dicarboxamide is sourced from PubChem (CID 122558552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).