(3S)-3-N-(5-chloro-2-morpholin-4-ylphenyl)-1-N,1-N-diethylpiperidine-1,3-dicarboxamide

C21H31ClN4O3 — CID 51955137

IUPAC(3S)-3-N-(5-chloro-2-morpholin-4-ylphenyl)-1-N,1-N-diethylpiperidine-1,3-dicarboxamide
SMILESCCN(CC)C(=O)N1CCC[C@H](C(=O)Nc2cc(Cl)ccc2N2CCOCC2)C1
InChIInChI=1S/C21H31ClN4O3/c1-3-24(4-2)21(28)26-9-5-6-16(15-26)20(27)23-18-14-17(22)7-8-19(18)25-10-12-29-13-11-25/h7-8,14,16H,3-6,9-13,15H2,1-2H3,(H,23,27)/t16-/m0/s1
InChIKeyGIQKFCPIOKLEHS-INIZCTEOSA-N
MW422.96 g/mol
LogP3.29
Rot. Bonds5

About (3S)-3-N-(5-chloro-2-morpholin-4-ylphenyl)-1-N,1-N-diethylpiperidine-1,3-dicarboxamide

(3S)-3-N-(5-chloro-2-morpholin-4-ylphenyl)-1-N,1-N-diethylpiperidine-1,3-dicarboxamide (PubChem CID 51955137) has the molecular formula C21H31ClN4O3 and a molecular weight of 422.96 g/mol. Its IUPAC name is (3S)-3-N-(5-chloro-2-morpholin-4-ylphenyl)-1-N,1-N-diethylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3S)-3-N-(5-chloro-2-morpholin-4-ylphenyl)-1-N,1-N-diethylpiperidine-1,3-dicarboxamide
PubChem CID51955137
Molecular FormulaC21H31ClN4O3
Molecular Weight422.96 g/mol
Exact Mass422.21
IUPAC Name(3S)-3-N-(5-chloro-2-morpholin-4-ylphenyl)-1-N,1-N-diethylpiperidine-1,3-dicarboxamide
SMILESCCN(CC)C(=O)N1CCC[C@H](C(=O)Nc2cc(Cl)ccc2N2CCOCC2)C1
InChIInChI=1S/C21H31ClN4O3/c1-3-24(4-2)21(28)26-9-5-6-16(15-26)20(27)23-18-14-17(22)7-8-19(18)25-10-12-29-13-11-25/h7-8,14,16H,3-6,9-13,15H2,1-2H3,(H,23,27)/t16-/m0/s1
InChIKeyGIQKFCPIOKLEHS-INIZCTEOSA-N
XLogP3.29
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.96
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(4-chlorobenzoyl)-N-(5-chloro-2-morpholin-4-ylphenyl)piperidine-3-carboxamide
CID 41136129
(3S)-1-(4-chlorobenzoyl)-N-(5-chloro-2-morpholin-4-ylphenyl)piperidine-3-carboxamide
CID 41136127
1-(4-chlorobenzoyl)-N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]piperidine-3-carboxamide
CID 112794351
1-acetyl-N-(5-chloro-2-morpholin-4-ylphenyl)pyrrolidine-2-carboxamide
CID 78798756
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]oxane-4-carboxamide
CID 30971775
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]cyclohexanecarboxamide
CID 18082339
N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]cyclobutanecarboxamide
CID 2680095
(3R)-1-N,1-N-diethyl-3-N-[2-methyl-5-(methylcarbamoyl)phenyl]piperidine-1,3-dicarboxamide
CID 51956169
N-(5-chloro-2-morpholin-4-ylphenyl)-3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 75400112
(3S)-N-(5-chloro-2-morpholin-4-ylphenyl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 40975249
1-(5-chloro-2-morpholin-4-ylphenyl)-3-propylurea
CID 47103076
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]oxane-4-carboxamide
CID 30970754

Frequently Asked Questions

What is the IUPAC name of (3S)-3-N-(5-chloro-2-morpholin-4-ylphenyl)-1-N,1-N-diethylpiperidine-1,3-dicarboxamide?
The IUPAC name of (3S)-3-N-(5-chloro-2-morpholin-4-ylphenyl)-1-N,1-N-diethylpiperidine-1,3-dicarboxamide (CID 51955137) is (3S)-3-N-(5-chloro-2-morpholin-4-ylphenyl)-1-N,1-N-diethylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for (3S)-3-N-(5-chloro-2-morpholin-4-ylphenyl)-1-N,1-N-diethylpiperidine-1,3-dicarboxamide?
The canonical SMILES for (3S)-3-N-(5-chloro-2-morpholin-4-ylphenyl)-1-N,1-N-diethylpiperidine-1,3-dicarboxamide is CCN(CC)C(=O)N1CCC[C@H](C(=O)Nc2cc(Cl)ccc2N2CCOCC2)C1.
What is the InChIKey of (3S)-3-N-(5-chloro-2-morpholin-4-ylphenyl)-1-N,1-N-diethylpiperidine-1,3-dicarboxamide?
The InChIKey is GIQKFCPIOKLEHS-INIZCTEOSA-N. The full InChI is InChI=1S/C21H31ClN4O3/c1-3-24(4-2)21(28)26-9-5-6-16(15-26)20(27)23-18-14-17(22)7-8-19(18)25-10-12-29-13-11-25/h7-8,14,16H,3-6,9-13,15H2,1-2H3,(H,23,27)/t16-/m0/s1.
What are the key properties of (3S)-3-N-(5-chloro-2-morpholin-4-ylphenyl)-1-N,1-N-diethylpiperidine-1,3-dicarboxamide?
(3S)-3-N-(5-chloro-2-morpholin-4-ylphenyl)-1-N,1-N-diethylpiperidine-1,3-dicarboxamide has a molecular weight of 422.96 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-N-(5-chloro-2-morpholin-4-ylphenyl)-1-N,1-N-diethylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 51955137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).