(3R)-N-phenyl-3-[3-(3-propan-2-yloxypropylcarbamoyl)phenyl]piperidine-1-carboxamide

C25H33N3O3 — CID 92872832

IUPAC(3R)-N-phenyl-3-[3-(3-propan-2-yloxypropylcarbamoyl)phenyl]piperidine-1-carboxamide
SMILESCC(C)OCCCNC(=O)c1cccc([C@H]2CCCN(C(=O)Nc3ccccc3)C2)c1
InChIInChI=1S/C25H33N3O3/c1-19(2)31-16-8-14-26-24(29)21-10-6-9-20(17-21)22-11-7-15-28(18-22)25(30)27-23-12-4-3-5-13-23/h3-6,9-10,12-13,17,19,22H,7-8,11,14-16,18H2,1-2H3,(H,26,29)(H,27,30)/t22-/m0/s1
InChIKeyHHTOZJDYTWXCAZ-QFIPXVFZSA-N
MW423.56 g/mol
LogP4.64
Rot. Bonds8

About (3R)-N-phenyl-3-[3-(3-propan-2-yloxypropylcarbamoyl)phenyl]piperidine-1-carboxamide

(3R)-N-phenyl-3-[3-(3-propan-2-yloxypropylcarbamoyl)phenyl]piperidine-1-carboxamide (PubChem CID 92872832) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is (3R)-N-phenyl-3-[3-(3-propan-2-yloxypropylcarbamoyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-phenyl-3-[3-(3-propan-2-yloxypropylcarbamoyl)phenyl]piperidine-1-carboxamide
PubChem CID92872832
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC Name(3R)-N-phenyl-3-[3-(3-propan-2-yloxypropylcarbamoyl)phenyl]piperidine-1-carboxamide
SMILESCC(C)OCCCNC(=O)c1cccc([C@H]2CCCN(C(=O)Nc3ccccc3)C2)c1
InChIInChI=1S/C25H33N3O3/c1-19(2)31-16-8-14-26-24(29)21-10-6-9-20(17-21)22-11-7-15-28(18-22)25(30)27-23-12-4-3-5-13-23/h3-6,9-10,12-13,17,19,22H,7-8,11,14-16,18H2,1-2H3,(H,26,29)(H,27,30)/t22-/m0/s1
InChIKeyHHTOZJDYTWXCAZ-QFIPXVFZSA-N
XLogP4.64
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (3R)-N-phenyl-3-[3-(3-propan-2-yloxypropylcarbamoyl)phenyl]piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-N-(4-chlorophenyl)-3-[3-(3-propan-2-yloxypropylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 92872675
(3S)-3-[3-(3-methylbutylcarbamoyl)phenyl]-N-phenylpiperidine-1-carboxamide
CID 92872813
(3R)-N-phenyl-3-[3-(propylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 92872808
3-[3-(3-ethoxypropylcarbamoyl)phenyl]-N-(4-ethylphenyl)piperidine-1-carboxamide
CID 46334158
3-[3-[2-(4-ethylpiperazin-1-yl)ethylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide
CID 46334212
3-[3-[(2-methylphenyl)methylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide
CID 46334225
(3R)-3-[3-[(3-methylphenyl)methylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide
CID 92872816
(3S)-3-[3-[(3-methoxyphenyl)methylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide
CID 92872821
3-[3-[(4-methylsulfanylphenyl)methylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide
CID 46334219
(3S)-N-(4-ethylphenyl)-3-[3-(3-pyrrolidin-1-ylpropylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 92872769
(3R)-N-(4-chlorophenyl)-3-[3-[3-(diethylamino)propylcarbamoyl]phenyl]piperidine-1-carboxamide
CID 92872610
(3S)-N-(4-chlorophenyl)-3-[3-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]phenyl]piperidine-1-carboxamide
CID 92872691

Frequently Asked Questions

What is the IUPAC name of (3R)-N-phenyl-3-[3-(3-propan-2-yloxypropylcarbamoyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of (3R)-N-phenyl-3-[3-(3-propan-2-yloxypropylcarbamoyl)phenyl]piperidine-1-carboxamide (CID 92872832) is (3R)-N-phenyl-3-[3-(3-propan-2-yloxypropylcarbamoyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-phenyl-3-[3-(3-propan-2-yloxypropylcarbamoyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-phenyl-3-[3-(3-propan-2-yloxypropylcarbamoyl)phenyl]piperidine-1-carboxamide is CC(C)OCCCNC(=O)c1cccc([C@H]2CCCN(C(=O)Nc3ccccc3)C2)c1.
What is the InChIKey of (3R)-N-phenyl-3-[3-(3-propan-2-yloxypropylcarbamoyl)phenyl]piperidine-1-carboxamide?
The InChIKey is HHTOZJDYTWXCAZ-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H33N3O3/c1-19(2)31-16-8-14-26-24(29)21-10-6-9-20(17-21)22-11-7-15-28(18-22)25(30)27-23-12-4-3-5-13-23/h3-6,9-10,12-13,17,19,22H,7-8,11,14-16,18H2,1-2H3,(H,26,29)(H,27,30)/t22-/m0/s1.
What are the key properties of (3R)-N-phenyl-3-[3-(3-propan-2-yloxypropylcarbamoyl)phenyl]piperidine-1-carboxamide?
(3R)-N-phenyl-3-[3-(3-propan-2-yloxypropylcarbamoyl)phenyl]piperidine-1-carboxamide has a molecular weight of 423.56 g/mol, XLogP of 4.64, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-phenyl-3-[3-(3-propan-2-yloxypropylcarbamoyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 92872832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).