N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide

C19H25ClN4O3 — CID 42943202

IUPACN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)CN1CCC(NC(=O)C2CC(=O)N(Cc3ccccc3Cl)C2)CC1
InChIInChI=1S/C19H25ClN4O3/c20-16-4-2-1-3-13(16)10-24-11-14(9-18(24)26)19(27)22-15-5-7-23(8-6-15)12-17(21)25/h1-4,14-15H,5-12H2,(H2,21,25)(H,22,27)
InChIKeyMEGKGPHOUOCLGP-UHFFFAOYSA-N
MW392.89 g/mol
LogP0.75
Rot. Bonds6

About N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide

N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 42943202) has the molecular formula C19H25ClN4O3 and a molecular weight of 392.89 g/mol. Its IUPAC name is N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID42943202
Molecular FormulaC19H25ClN4O3
Molecular Weight392.89 g/mol
Exact Mass392.16
IUPAC NameN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)CN1CCC(NC(=O)C2CC(=O)N(Cc3ccccc3Cl)C2)CC1
InChIInChI=1S/C19H25ClN4O3/c20-16-4-2-1-3-13(16)10-24-11-14(9-18(24)26)19(27)22-15-5-7-23(8-6-15)12-17(21)25/h1-4,14-15H,5-12H2,(H2,21,25)(H,22,27)
InChIKeyMEGKGPHOUOCLGP-UHFFFAOYSA-N
XLogP0.75
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzylpiperidin-4-yl)-1-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 42656174
(3S)-N-(1-benzylpiperidin-4-yl)-1-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 39354010
1-[(2-chlorophenyl)methyl]-N-cyclopropylpyrrolidine-3-carboxamide
CID 166602716
N-(1-benzylpiperidin-4-yl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 53181864
1-(2-amino-2-oxoethyl)-N-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
CID 16909154
(3R)-N-(4-acetamidophenyl)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 8701516
N-(4-acetamidophenyl)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 78756753
1-[(2-chlorophenyl)methyl]-N-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42651418
N-[(2-chlorophenyl)methyl]-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113183420
1-(2-ethylphenyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide
CID 55866339
1-[(2-chlorophenyl)methyl]-5-oxo-N-pentylpyrrolidine-3-carboxamide
CID 113183631
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 24674052

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 42943202) is N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide is NC(=O)CN1CCC(NC(=O)C2CC(=O)N(Cc3ccccc3Cl)C2)CC1.
What is the InChIKey of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is MEGKGPHOUOCLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O3/c20-16-4-2-1-3-13(16)10-24-11-14(9-18(24)26)19(27)22-15-5-7-23(8-6-15)12-17(21)25/h1-4,14-15H,5-12H2,(H2,21,25)(H,22,27).
What are the key properties of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 392.89 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 42943202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).