N-[(3-chlorophenyl)methyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide

C19H26ClN3O3 — CID 24793252

IUPACN-[(3-chlorophenyl)methyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)C1CCC(=O)N(CCN2CCOCC2)C1
InChIInChI=1S/C19H26ClN3O3/c20-17-3-1-2-15(12-17)13-21-19(25)16-4-5-18(24)23(14-16)7-6-22-8-10-26-11-9-22/h1-3,12,16H,4-11,13-14H2,(H,21,25)
InChIKeyHBPLZOFCOTVZHY-UHFFFAOYSA-N
MW379.89 g/mol
LogP1.53
Rot. Bonds6

About N-[(3-chlorophenyl)methyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide

N-[(3-chlorophenyl)methyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide (PubChem CID 24793252) has the molecular formula C19H26ClN3O3 and a molecular weight of 379.89 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide
PubChem CID24793252
Molecular FormulaC19H26ClN3O3
Molecular Weight379.89 g/mol
Exact Mass379.17
IUPAC NameN-[(3-chlorophenyl)methyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)C1CCC(=O)N(CCN2CCOCC2)C1
InChIInChI=1S/C19H26ClN3O3/c20-17-3-1-2-15(12-17)13-21-19(25)16-4-5-18(24)23(14-16)7-6-22-8-10-26-11-9-22/h1-3,12,16H,4-11,13-14H2,(H,21,25)
InChIKeyHBPLZOFCOTVZHY-UHFFFAOYSA-N
XLogP1.53
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide (CID 24793252) is N-[(3-chlorophenyl)methyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide is O=C(NCc1cccc(Cl)c1)C1CCC(=O)N(CCN2CCOCC2)C1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is HBPLZOFCOTVZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O3/c20-17-3-1-2-15(12-17)13-21-19(25)16-4-5-18(24)23(14-16)7-6-22-8-10-26-11-9-22/h1-3,12,16H,4-11,13-14H2,(H,21,25).
What are the key properties of N-[(3-chlorophenyl)methyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide?
N-[(3-chlorophenyl)methyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 379.89 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24793252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).