3-[1-hydroxy-5-methoxy-1-[2-(3-methylphenyl)phenyl]pentyl]-N-[1-(methylamino)propan-2-yl]piperidine-1-carboxamide

C29H43N3O3 — CID 67192406

IUPAC3-[1-hydroxy-5-methoxy-1-[2-(3-methylphenyl)phenyl]pentyl]-N-[1-(methylamino)propan-2-yl]piperidine-1-carboxamide
SMILESCNCC(C)NC(=O)N1CCCC(C(O)(CCCCOC)c2ccccc2-c2cccc(C)c2)C1
InChIInChI=1S/C29H43N3O3/c1-22-11-9-12-24(19-22)26-14-5-6-15-27(26)29(34,16-7-8-18-35-4)25-13-10-17-32(21-25)28(33)31-23(2)20-30-3/h5-6,9,11-12,14-15,19,23,25,30,34H,7-8,10,13,16-18,20-21H2,1-4H3,(H,31,33)
InChIKeyVHQFKYJNROZJDC-UHFFFAOYSA-N
MW481.68 g/mol
LogP4.70
Rot. Bonds11

About 3-[1-hydroxy-5-methoxy-1-[2-(3-methylphenyl)phenyl]pentyl]-N-[1-(methylamino)propan-2-yl]piperidine-1-carboxamide

3-[1-hydroxy-5-methoxy-1-[2-(3-methylphenyl)phenyl]pentyl]-N-[1-(methylamino)propan-2-yl]piperidine-1-carboxamide (PubChem CID 67192406) has the molecular formula C29H43N3O3 and a molecular weight of 481.68 g/mol. Its IUPAC name is 3-[1-hydroxy-5-methoxy-1-[2-(3-methylphenyl)phenyl]pentyl]-N-[1-(methylamino)propan-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-[1-hydroxy-5-methoxy-1-[2-(3-methylphenyl)phenyl]pentyl]-N-[1-(methylamino)propan-2-yl]piperidine-1-carboxamide
PubChem CID67192406
Molecular FormulaC29H43N3O3
Molecular Weight481.68 g/mol
Exact Mass481.33
IUPAC Name3-[1-hydroxy-5-methoxy-1-[2-(3-methylphenyl)phenyl]pentyl]-N-[1-(methylamino)propan-2-yl]piperidine-1-carboxamide
SMILESCNCC(C)NC(=O)N1CCCC(C(O)(CCCCOC)c2ccccc2-c2cccc(C)c2)C1
InChIInChI=1S/C29H43N3O3/c1-22-11-9-12-24(19-22)26-14-5-6-15-27(26)29(34,16-7-8-18-35-4)25-13-10-17-32(21-25)28(33)31-23(2)20-30-3/h5-6,9,11-12,14-15,19,23,25,30,34H,7-8,10,13,16-18,20-21H2,1-4H3,(H,31,33)
InChIKeyVHQFKYJNROZJDC-UHFFFAOYSA-N
XLogP4.70
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.68
LogP ≤ 54.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-[(1S)-1-hydroxy-5-methoxy-1-[2-(4-methylphenyl)phenyl]pentyl]-N-[(2S)-1-(methylamino)propan-2-yl]piperidine-1-carboxamide;N-[(2S)-1-(methylamino)propan-2-yl]piperidine-1-carboxamide
CID 67194645
(3R)-3-[(1S)-1-[2-(2-chlorophenoxy)phenyl]-1-hydroxy-5-methoxypentyl]-N-[1-(methylamino)propan-2-yl]piperidine-1-carboxamide
CID 67191381
(3R)-3-[(1S)-1-[3-fluoro-2-(2-methylphenoxy)phenyl]-1-hydroxy-5-methoxypentyl]-N-[(2S)-1-(methylamino)propan-2-yl]piperidine-1-carboxamide;N-[(2S)-1-(methylamino)propan-2-yl]piperidine-1-carboxamide
CID 67194459
(3R)-3-[(1S)-1-[2-(2-chlorophenyl)phenyl]-1,5-dihydroxypentyl]-N-[(2S)-1-(methylamino)propan-2-yl]piperidine-1-carboxamide
CID 70326651
(3R)-3-[(1S)-1-[2-(3-chlorophenyl)-3-fluorophenyl]-1-hydroxy-5-methoxypentyl]-N-[1-cyclopentyl-3-(methylamino)propan-2-yl]piperidine-1-carboxamide
CID 67192085
(3R)-3-[(1R)-1-(3-chloro-2-fluorophenyl)-1-hydroxy-5-methoxypentyl]-N-[4,4-dimethyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide
CID 67192398
3-[(1R)-1-(3-chloro-2-methylphenyl)-1-hydroxy-5-methoxypentyl]-N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]piperidine-1-carboxamide;(3R)-3-[(1S)-1-(3-chloro-2-methylphenyl)-1-hydroxy-5-methoxypentyl]-N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]piperidine-1-carboxamide
CID 87847381
(3R)-N-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[(1S)-1-(2-fluoro-3-methylphenyl)-1-hydroxy-5-methoxypentyl]piperidine-1-carboxamide
CID 67188538
(3R)-3-[(1S)-1-(3-chloro-2-fluorophenyl)-1-hydroxy-5-methoxypentyl]-N-[(2S)-1-(4-fluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide;(3R)-3-[(1R)-1-[2-(2-chlorophenyl)phenyl]-1-hydroxy-5-methoxypentyl]-N-[(2S)-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide;(3R)-3-[(1S)-1-[2-(2-chlorophenyl)phenyl]-1-hydroxy-5-methoxypentyl]-N-[(2S)-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide;(3R)-3-[(1S)-1-[2-(3-chlorophenyl)phenyl]-1-hydroxy-5-methoxypentyl]-N-[(2S)-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide;(3R)-3-[(1S)-1-[2-(4-chlorophenyl)phenyl]-1-hydroxy-5-methoxypentyl]-N-[(2S)-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide
CID 159716260
N-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[1-(2-fluorophenyl)-1-hydroxy-5-methoxypentyl]piperidine-1-carboxamide
CID 67191912
(3R)-3-[1-[2-(cyclopropylmethoxy)phenyl]-1-hydroxy-5-methoxypentyl]-N-[(2S)-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide
CID 68705977
3-[1-[2-(2,2-dimethylpropoxy)phenyl]-1-hydroxy-5-methoxypentyl]-N-[4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide
CID 67189178

Frequently Asked Questions

What is the IUPAC name of 3-[1-hydroxy-5-methoxy-1-[2-(3-methylphenyl)phenyl]pentyl]-N-[1-(methylamino)propan-2-yl]piperidine-1-carboxamide?
The IUPAC name of 3-[1-hydroxy-5-methoxy-1-[2-(3-methylphenyl)phenyl]pentyl]-N-[1-(methylamino)propan-2-yl]piperidine-1-carboxamide (CID 67192406) is 3-[1-hydroxy-5-methoxy-1-[2-(3-methylphenyl)phenyl]pentyl]-N-[1-(methylamino)propan-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for 3-[1-hydroxy-5-methoxy-1-[2-(3-methylphenyl)phenyl]pentyl]-N-[1-(methylamino)propan-2-yl]piperidine-1-carboxamide?
The canonical SMILES for 3-[1-hydroxy-5-methoxy-1-[2-(3-methylphenyl)phenyl]pentyl]-N-[1-(methylamino)propan-2-yl]piperidine-1-carboxamide is CNCC(C)NC(=O)N1CCCC(C(O)(CCCCOC)c2ccccc2-c2cccc(C)c2)C1.
What is the InChIKey of 3-[1-hydroxy-5-methoxy-1-[2-(3-methylphenyl)phenyl]pentyl]-N-[1-(methylamino)propan-2-yl]piperidine-1-carboxamide?
The InChIKey is VHQFKYJNROZJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H43N3O3/c1-22-11-9-12-24(19-22)26-14-5-6-15-27(26)29(34,16-7-8-18-35-4)25-13-10-17-32(21-25)28(33)31-23(2)20-30-3/h5-6,9,11-12,14-15,19,23,25,30,34H,7-8,10,13,16-18,20-21H2,1-4H3,(H,31,33).
What are the key properties of 3-[1-hydroxy-5-methoxy-1-[2-(3-methylphenyl)phenyl]pentyl]-N-[1-(methylamino)propan-2-yl]piperidine-1-carboxamide?
3-[1-hydroxy-5-methoxy-1-[2-(3-methylphenyl)phenyl]pentyl]-N-[1-(methylamino)propan-2-yl]piperidine-1-carboxamide has a molecular weight of 481.68 g/mol, XLogP of 4.70, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-hydroxy-5-methoxy-1-[2-(3-methylphenyl)phenyl]pentyl]-N-[1-(methylamino)propan-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 67192406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).