(3R)-1-[(4-chlorophenyl)methyl]-6-oxo-N-[2-(pyridin-3-ylamino)ethyl]piperidine-3-carboxamide

C20H23ClN4O2 — CID 97148223

IUPAC(3R)-1-[(4-chlorophenyl)methyl]-6-oxo-N-[2-(pyridin-3-ylamino)ethyl]piperidine-3-carboxamide
SMILESO=C(NCCNc1cccnc1)[C@@H]1CCC(=O)N(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C20H23ClN4O2/c21-17-6-3-15(4-7-17)13-25-14-16(5-8-19(25)26)20(27)24-11-10-23-18-2-1-9-22-12-18/h1-4,6-7,9,12,16,23H,5,8,10-11,13-14H2,(H,24,27)/t16-/m1/s1
InChIKeyAEHVVCXYFJZITJ-MRXNPFEDSA-N
MW386.88 g/mol
LogP2.70
Rot. Bonds7

About (3R)-1-[(4-chlorophenyl)methyl]-6-oxo-N-[2-(pyridin-3-ylamino)ethyl]piperidine-3-carboxamide

(3R)-1-[(4-chlorophenyl)methyl]-6-oxo-N-[2-(pyridin-3-ylamino)ethyl]piperidine-3-carboxamide (PubChem CID 97148223) has the molecular formula C20H23ClN4O2 and a molecular weight of 386.88 g/mol. Its IUPAC name is (3R)-1-[(4-chlorophenyl)methyl]-6-oxo-N-[2-(pyridin-3-ylamino)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(4-chlorophenyl)methyl]-6-oxo-N-[2-(pyridin-3-ylamino)ethyl]piperidine-3-carboxamide
PubChem CID97148223
Molecular FormulaC20H23ClN4O2
Molecular Weight386.88 g/mol
Exact Mass386.15
IUPAC Name(3R)-1-[(4-chlorophenyl)methyl]-6-oxo-N-[2-(pyridin-3-ylamino)ethyl]piperidine-3-carboxamide
SMILESO=C(NCCNc1cccnc1)[C@@H]1CCC(=O)N(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C20H23ClN4O2/c21-17-6-3-15(4-7-17)13-25-14-16(5-8-19(25)26)20(27)24-11-10-23-18-2-1-9-22-12-18/h1-4,6-7,9,12,16,23H,5,8,10-11,13-14H2,(H,24,27)/t16-/m1/s1
InChIKeyAEHVVCXYFJZITJ-MRXNPFEDSA-N
XLogP2.70
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-chlorophenyl)ethyl]-6-oxo-N-[2-(pyridin-3-ylamino)ethyl]piperidine-3-carboxamide
CID 72838964
1-[(4-chlorophenyl)methyl]-6-oxo-N-(2-phenylethyl)piperidine-3-carboxamide
CID 24793091
1-[(4-chlorophenyl)methyl]-6-oxo-N-(2-phenoxyethyl)piperidine-3-carboxamide
CID 24817182
1-[(4-chlorophenyl)methyl]-N-(2-cyclopentylethyl)-6-oxopiperidine-3-carboxamide
CID 45199770
1-[(4-chlorophenyl)methyl]-N-[2-(diethylamino)ethyl]-6-oxopiperidine-3-carboxamide
CID 45203519
1-[(4-chlorophenyl)methyl]-N-[2-(cyclohexen-1-yl)ethyl]-6-oxopiperidine-3-carboxamide
CID 24817174
1-[(4-chlorophenyl)methyl]-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 45234331
(3R)-1-[(4-chlorophenyl)methyl]-N-[3-(4-methoxyphenyl)propyl]-6-oxopiperidine-3-carboxamide
CID 25385822
(3S)-6-oxo-1-(2-phenylethyl)-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide
CID 42592382
1-[(4-chlorophenyl)methyl]-N-(4-hydroxycyclohexyl)-6-oxopiperidine-3-carboxamide
CID 45245142
(3R)-6-oxo-1-(pyridin-2-ylmethyl)-N-(2-pyridin-3-yloxyethyl)piperidine-3-carboxamide
CID 42199281
N-[2-[[(3R)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]ethyl]pyridine-3-carboxamide
CID 39023396

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(4-chlorophenyl)methyl]-6-oxo-N-[2-(pyridin-3-ylamino)ethyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[(4-chlorophenyl)methyl]-6-oxo-N-[2-(pyridin-3-ylamino)ethyl]piperidine-3-carboxamide (CID 97148223) is (3R)-1-[(4-chlorophenyl)methyl]-6-oxo-N-[2-(pyridin-3-ylamino)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(4-chlorophenyl)methyl]-6-oxo-N-[2-(pyridin-3-ylamino)ethyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(4-chlorophenyl)methyl]-6-oxo-N-[2-(pyridin-3-ylamino)ethyl]piperidine-3-carboxamide is O=C(NCCNc1cccnc1)[C@@H]1CCC(=O)N(Cc2ccc(Cl)cc2)C1.
What is the InChIKey of (3R)-1-[(4-chlorophenyl)methyl]-6-oxo-N-[2-(pyridin-3-ylamino)ethyl]piperidine-3-carboxamide?
The InChIKey is AEHVVCXYFJZITJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H23ClN4O2/c21-17-6-3-15(4-7-17)13-25-14-16(5-8-19(25)26)20(27)24-11-10-23-18-2-1-9-22-12-18/h1-4,6-7,9,12,16,23H,5,8,10-11,13-14H2,(H,24,27)/t16-/m1/s1.
What are the key properties of (3R)-1-[(4-chlorophenyl)methyl]-6-oxo-N-[2-(pyridin-3-ylamino)ethyl]piperidine-3-carboxamide?
(3R)-1-[(4-chlorophenyl)methyl]-6-oxo-N-[2-(pyridin-3-ylamino)ethyl]piperidine-3-carboxamide has a molecular weight of 386.88 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(4-chlorophenyl)methyl]-6-oxo-N-[2-(pyridin-3-ylamino)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 97148223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).