1-[4-(4-carbamoylphenoxy)benzoyl]-N-phenylpiperidine-4-carboxamide

C26H25N3O4 — CID 56545504

IUPAC1-[4-(4-carbamoylphenoxy)benzoyl]-N-phenylpiperidine-4-carboxamide
SMILESNC(=O)c1ccc(Oc2ccc(C(=O)N3CCC(C(=O)Nc4ccccc4)CC3)cc2)cc1
InChIInChI=1S/C26H25N3O4/c27-24(30)18-6-10-22(11-7-18)33-23-12-8-20(9-13-23)26(32)29-16-14-19(15-17-29)25(31)28-21-4-2-1-3-5-21/h1-13,19H,14-17H2,(H2,27,30)(H,28,31)
InChIKeyTVECWVYZGWLBHB-UHFFFAOYSA-N
MW443.50 g/mol
LogP4.07
Rot. Bonds6

About 1-[4-(4-carbamoylphenoxy)benzoyl]-N-phenylpiperidine-4-carboxamide

1-[4-(4-carbamoylphenoxy)benzoyl]-N-phenylpiperidine-4-carboxamide (PubChem CID 56545504) has the molecular formula C26H25N3O4 and a molecular weight of 443.50 g/mol. Its IUPAC name is 1-[4-(4-carbamoylphenoxy)benzoyl]-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(4-carbamoylphenoxy)benzoyl]-N-phenylpiperidine-4-carboxamide
PubChem CID56545504
Molecular FormulaC26H25N3O4
Molecular Weight443.50 g/mol
Exact Mass443.18
IUPAC Name1-[4-(4-carbamoylphenoxy)benzoyl]-N-phenylpiperidine-4-carboxamide
SMILESNC(=O)c1ccc(Oc2ccc(C(=O)N3CCC(C(=O)Nc4ccccc4)CC3)cc2)cc1
InChIInChI=1S/C26H25N3O4/c27-24(30)18-6-10-22(11-7-18)33-23-12-8-20(9-13-23)26(32)29-16-14-19(15-17-29)25(31)28-21-4-2-1-3-5-21/h1-13,19H,14-17H2,(H2,27,30)(H,28,31)
InChIKeyTVECWVYZGWLBHB-UHFFFAOYSA-N
XLogP4.07
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorobenzoyl)-N-(3-phenoxyphenyl)piperidine-4-carboxamide
CID 9268659
4-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
CID 119177742
1-(4-tert-butylbenzoyl)-N-phenylpiperidine-4-carboxamide
CID 113006047
1-benzoyl-N-(4-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 110298361
1-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]-N-phenylpiperidine-4-carboxamide
CID 55397881
3-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
CID 119219598
methyl 1-(4-phenoxybenzoyl)piperidine-4-carboxylate
CID 26865644
methyl 4-[(4-carbamoylphenyl)carbamoyl]piperidine-1-carboxylate
CID 110754209
4-[4-(4-phenylmethoxypiperidine-1-carbonyl)phenoxy]benzamide
CID 56545792
1-[4-(benzenesulfonamido)benzoyl]-N-phenylpiperidine-4-carboxamide
CID 55410159
N-(4-carbamoylphenyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide
CID 126029026
1-(3,5-dimethoxybenzoyl)-N-[4-(2-methoxyphenoxy)phenyl]piperidine-4-carboxamide
CID 46471892

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-carbamoylphenoxy)benzoyl]-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-[4-(4-carbamoylphenoxy)benzoyl]-N-phenylpiperidine-4-carboxamide (CID 56545504) is 1-[4-(4-carbamoylphenoxy)benzoyl]-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(4-carbamoylphenoxy)benzoyl]-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-[4-(4-carbamoylphenoxy)benzoyl]-N-phenylpiperidine-4-carboxamide is NC(=O)c1ccc(Oc2ccc(C(=O)N3CCC(C(=O)Nc4ccccc4)CC3)cc2)cc1.
What is the InChIKey of 1-[4-(4-carbamoylphenoxy)benzoyl]-N-phenylpiperidine-4-carboxamide?
The InChIKey is TVECWVYZGWLBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O4/c27-24(30)18-6-10-22(11-7-18)33-23-12-8-20(9-13-23)26(32)29-16-14-19(15-17-29)25(31)28-21-4-2-1-3-5-21/h1-13,19H,14-17H2,(H2,27,30)(H,28,31).
What are the key properties of 1-[4-(4-carbamoylphenoxy)benzoyl]-N-phenylpiperidine-4-carboxamide?
1-[4-(4-carbamoylphenoxy)benzoyl]-N-phenylpiperidine-4-carboxamide has a molecular weight of 443.50 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-carbamoylphenoxy)benzoyl]-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 56545504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).