1-(4-chlorobenzoyl)-N-(3,4-dipropoxyphenyl)piperidine-4-carboxamide

C25H31ClN2O4 — CID 26878669

IUPAC1-(4-chlorobenzoyl)-N-(3,4-dipropoxyphenyl)piperidine-4-carboxamide
SMILESCCCOc1ccc(NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1OCCC
InChIInChI=1S/C25H31ClN2O4/c1-3-15-31-22-10-9-21(17-23(22)32-16-4-2)27-24(29)18-11-13-28(14-12-18)25(30)19-5-7-20(26)8-6-19/h5-10,17-18H,3-4,11-16H2,1-2H3,(H,27,29)
InChIKeyNBFZEJOYHNUSOP-UHFFFAOYSA-N
MW458.99 g/mol
LogP5.41
Rot. Bonds9

About 1-(4-chlorobenzoyl)-N-(3,4-dipropoxyphenyl)piperidine-4-carboxamide

1-(4-chlorobenzoyl)-N-(3,4-dipropoxyphenyl)piperidine-4-carboxamide (PubChem CID 26878669) has the molecular formula C25H31ClN2O4 and a molecular weight of 458.99 g/mol. Its IUPAC name is 1-(4-chlorobenzoyl)-N-(3,4-dipropoxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorobenzoyl)-N-(3,4-dipropoxyphenyl)piperidine-4-carboxamide
PubChem CID26878669
Molecular FormulaC25H31ClN2O4
Molecular Weight458.99 g/mol
Exact Mass458.20
IUPAC Name1-(4-chlorobenzoyl)-N-(3,4-dipropoxyphenyl)piperidine-4-carboxamide
SMILESCCCOc1ccc(NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1OCCC
InChIInChI=1S/C25H31ClN2O4/c1-3-15-31-22-10-9-21(17-23(22)32-16-4-2)27-24(29)18-11-13-28(14-12-18)25(30)19-5-7-20(26)8-6-19/h5-10,17-18H,3-4,11-16H2,1-2H3,(H,27,29)
InChIKeyNBFZEJOYHNUSOP-UHFFFAOYSA-N
XLogP5.41
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.99
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorobenzoyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 26175419
N-(3,4-dipropoxyphenyl)cyclobutanecarboxamide
CID 78779732
N-(3,4-dipropoxyphenyl)oxane-4-carboxamide
CID 78800774
1-[(3,4-dipropoxyphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122074199
N-(5-bromo-2-pyridinyl)-1-(3-ethoxy-4-propoxybenzoyl)piperidine-4-carboxamide
CID 55818550
N-(3-chloro-4-methoxyphenyl)-1-(4-methylbenzoyl)piperidine-4-carboxamide
CID 113007389
1-(4-chlorobenzoyl)-N-[4-(propylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 17119366
1-(4-bromobenzoyl)-N-(3-chloro-4-methoxyphenyl)piperidine-4-carboxamide
CID 2192257
1-(4-chlorobenzoyl)-N-(3-propan-2-ylphenyl)piperidine-4-carboxamide
CID 9293494
N-(4-chlorophenyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide
CID 126071800
1-(4-chlorobenzoyl)-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 7961983
1-(3,4-dimethoxybenzoyl)-N-(3,4-dimethylphenyl)piperidine-4-carboxamide
CID 113006445

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobenzoyl)-N-(3,4-dipropoxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-chlorobenzoyl)-N-(3,4-dipropoxyphenyl)piperidine-4-carboxamide (CID 26878669) is 1-(4-chlorobenzoyl)-N-(3,4-dipropoxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-chlorobenzoyl)-N-(3,4-dipropoxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-chlorobenzoyl)-N-(3,4-dipropoxyphenyl)piperidine-4-carboxamide is CCCOc1ccc(NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1OCCC.
What is the InChIKey of 1-(4-chlorobenzoyl)-N-(3,4-dipropoxyphenyl)piperidine-4-carboxamide?
The InChIKey is NBFZEJOYHNUSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31ClN2O4/c1-3-15-31-22-10-9-21(17-23(22)32-16-4-2)27-24(29)18-11-13-28(14-12-18)25(30)19-5-7-20(26)8-6-19/h5-10,17-18H,3-4,11-16H2,1-2H3,(H,27,29).
What are the key properties of 1-(4-chlorobenzoyl)-N-(3,4-dipropoxyphenyl)piperidine-4-carboxamide?
1-(4-chlorobenzoyl)-N-(3,4-dipropoxyphenyl)piperidine-4-carboxamide has a molecular weight of 458.99 g/mol, XLogP of 5.41, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorobenzoyl)-N-(3,4-dipropoxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 26878669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).