N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide

C19H24ClN3O3 — CID 55428186

IUPACN-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
SMILESO=C(CCN1C(=O)CCC1=O)NC1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H24ClN3O3/c20-15-3-1-14(2-4-15)13-22-10-7-16(8-11-22)21-17(24)9-12-23-18(25)5-6-19(23)26/h1-4,16H,5-13H2,(H,21,24)
InChIKeyGHMAXSXRENNRME-UHFFFAOYSA-N
MW377.87 g/mol
LogP1.96
Rot. Bonds6

About N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide

N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide (PubChem CID 55428186) has the molecular formula C19H24ClN3O3 and a molecular weight of 377.87 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
PubChem CID55428186
Molecular FormulaC19H24ClN3O3
Molecular Weight377.87 g/mol
Exact Mass377.15
IUPAC NameN-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
SMILESO=C(CCN1C(=O)CCC1=O)NC1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H24ClN3O3/c20-15-3-1-14(2-4-15)13-22-10-7-16(8-11-22)21-17(24)9-12-23-18(25)5-6-19(23)26/h1-4,16H,5-13H2,(H,21,24)
InChIKeyGHMAXSXRENNRME-UHFFFAOYSA-N
XLogP1.96
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 18121098
N-cyclopropyl-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 60667695
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(4-hydroxyphenyl)acetamide
CID 78822391
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(4-ethylphenyl)propanamide
CID 55428414
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 8934807
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(3,4-dimethylphenyl)acetamide
CID 18121031
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-phenoxybutanamide
CID 24504189
6-[3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-3-oxopropyl]naphthalene-2-carboxylic acid
CID 24745006
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 55959421
4-tert-butyl-N-[3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-3-oxopropyl]benzamide
CID 24504193
2-amino-N-[(3S)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]acetamide
CID 54551711
(2R)-2-amino-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide
CID 119835947

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide (CID 55428186) is N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide is O=C(CCN1C(=O)CCC1=O)NC1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
The InChIKey is GHMAXSXRENNRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O3/c20-15-3-1-14(2-4-15)13-22-10-7-16(8-11-22)21-17(24)9-12-23-18(25)5-6-19(23)26/h1-4,16H,5-13H2,(H,21,24).
What are the key properties of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide has a molecular weight of 377.87 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide is sourced from PubChem (CID 55428186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).