1-[(4-chlorophenyl)methyl]-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide

C23H28ClN3O2 — CID 100522699

IUPAC1-[(4-chlorophenyl)methyl]-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)C1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H28ClN3O2/c24-20-3-1-18(2-4-20)17-26-11-9-19(10-12-26)23(28)25-21-5-7-22(8-6-21)27-13-15-29-16-14-27/h1-8,19H,9-17H2,(H,25,28)
InChIKeyCXCXMTHMTKIFNW-UHFFFAOYSA-N
MW413.95 g/mol
LogP4.03
Rot. Bonds5

About 1-[(4-chlorophenyl)methyl]-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide

1-[(4-chlorophenyl)methyl]-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide (PubChem CID 100522699) has the molecular formula C23H28ClN3O2 and a molecular weight of 413.95 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide
PubChem CID100522699
Molecular FormulaC23H28ClN3O2
Molecular Weight413.95 g/mol
Exact Mass413.19
IUPAC Name1-[(4-chlorophenyl)methyl]-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)C1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H28ClN3O2/c24-20-3-1-18(2-4-20)17-26-11-9-19(10-12-26)23(28)25-21-5-7-22(8-6-21)27-13-15-29-16-14-27/h1-8,19H,9-17H2,(H,25,28)
InChIKeyCXCXMTHMTKIFNW-UHFFFAOYSA-N
XLogP4.03
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.95
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 4535496
1-[(4-chlorophenyl)methyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide
CID 45022180
1-benzyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 46774277
N-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 45019225
N-[4-(morpholin-4-ylmethyl)phenyl]oxane-3-carboxamide
CID 102557414
N-[4-(morpholin-4-ylmethyl)phenyl]-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 108730965
N-(4-chlorophenyl)-3-(4-morpholin-4-ylphenyl)propanamide
CID 110650035
N-(4-pyrrolidin-1-ylphenyl)oxane-4-carboxamide
CID 30795120
1-[(2,4-dichlorophenyl)methyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]piperidine-4-carboxamide
CID 53284614
N-(4-chlorophenyl)-1-(oxane-4-carbonyl)piperidine-4-carboxamide
CID 113007205
4-(methylamino)-N-(4-morpholin-4-ylphenyl)cyclohexane-1-carboxamide
CID 71040468
1-[(4-chlorophenyl)methyl]-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 45019171

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide (CID 100522699) is 1-[(4-chlorophenyl)methyl]-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide is O=C(Nc1ccc(N2CCOCC2)cc1)C1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide?
The InChIKey is CXCXMTHMTKIFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O2/c24-20-3-1-18(2-4-20)17-26-11-9-19(10-12-26)23(28)25-21-5-7-22(8-6-21)27-13-15-29-16-14-27/h1-8,19H,9-17H2,(H,25,28).
What are the key properties of 1-[(4-chlorophenyl)methyl]-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide?
1-[(4-chlorophenyl)methyl]-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide has a molecular weight of 413.95 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 100522699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).