1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide

C21H25ClN4O2 — CID 55922959

IUPAC1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(CC(=O)NCc3ccc(Cl)cc3)CC2)nc1
InChIInChI=1S/C21H25ClN4O2/c1-15-2-7-19(23-12-15)25-21(28)17-8-10-26(11-9-17)14-20(27)24-13-16-3-5-18(22)6-4-16/h2-7,12,17H,8-11,13-14H2,1H3,(H,24,27)(H,23,25,28)
InChIKeyAAPRRZCVGJHHJF-UHFFFAOYSA-N
MW400.91 g/mol
LogP3.01
Rot. Bonds6

About 1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide

1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 55922959) has the molecular formula C21H25ClN4O2 and a molecular weight of 400.91 g/mol. Its IUPAC name is 1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
PubChem CID55922959
Molecular FormulaC21H25ClN4O2
Molecular Weight400.91 g/mol
Exact Mass400.17
IUPAC Name1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(CC(=O)NCc3ccc(Cl)cc3)CC2)nc1
InChIInChI=1S/C21H25ClN4O2/c1-15-2-7-19(23-12-15)25-21(28)17-8-10-26(11-9-17)14-20(27)24-13-16-3-5-18(22)6-4-16/h2-7,12,17H,8-11,13-14H2,1H3,(H,24,27)(H,23,25,28)
InChIKeyAAPRRZCVGJHHJF-UHFFFAOYSA-N
XLogP3.01
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.91
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-2-pyridinyl)-1-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 55923201
1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 8530947
1-(4-chlorobenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 24980605
N-[(4-chlorophenyl)methyl]-2-(4-methylpiperidin-1-yl)acetamide
CID 2654996
1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-N-propylpiperidine-4-carboxamide
CID 134046327
1-[[3-(4-chlorophenyl)-4-methyl-2-oxoimidazol-1-yl]methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 56521996
N-[(4-chlorophenyl)methyl]-1-[2-(3,4-dichloroanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909933
N-(5-bromo-2-pyridinyl)-1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 60548150
2-(azepan-1-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 108997193
1-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55921662
1-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55865731
N-[(4-chlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 8896530

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide (CID 55922959) is 1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCN(CC(=O)NCc3ccc(Cl)cc3)CC2)nc1.
What is the InChIKey of 1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is AAPRRZCVGJHHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN4O2/c1-15-2-7-19(23-12-15)25-21(28)17-8-10-26(11-9-17)14-20(27)24-13-16-3-5-18(22)6-4-16/h2-7,12,17H,8-11,13-14H2,1H3,(H,24,27)(H,23,25,28).
What are the key properties of 1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 400.91 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 55922959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).