N-[(1S)-1-hydroxy-5-methoxy-1-(3-methylphenyl)pentyl]piperidine-1-carboxamide

C19H30N2O3 — CID 90723597

IUPACN-[(1S)-1-hydroxy-5-methoxy-1-(3-methylphenyl)pentyl]piperidine-1-carboxamide
SMILESCOCCCC[C@@](O)(NC(=O)N1CCCCC1)c1cccc(C)c1
InChIInChI=1S/C19H30N2O3/c1-16-9-8-10-17(15-16)19(23,11-4-7-14-24-2)20-18(22)21-12-5-3-6-13-21/h8-10,15,23H,3-7,11-14H2,1-2H3,(H,20,22)/t19-/m0/s1
InChIKeyMPCMJTCGWZOSST-IBGZPJMESA-N
MW334.46 g/mol
LogP3.15
Rot. Bonds7

About N-[(1S)-1-hydroxy-5-methoxy-1-(3-methylphenyl)pentyl]piperidine-1-carboxamide

N-[(1S)-1-hydroxy-5-methoxy-1-(3-methylphenyl)pentyl]piperidine-1-carboxamide (PubChem CID 90723597) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is N-[(1S)-1-hydroxy-5-methoxy-1-(3-methylphenyl)pentyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-hydroxy-5-methoxy-1-(3-methylphenyl)pentyl]piperidine-1-carboxamide
PubChem CID90723597
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC NameN-[(1S)-1-hydroxy-5-methoxy-1-(3-methylphenyl)pentyl]piperidine-1-carboxamide
SMILESCOCCCC[C@@](O)(NC(=O)N1CCCCC1)c1cccc(C)c1
InChIInChI=1S/C19H30N2O3/c1-16-9-8-10-17(15-16)19(23,11-4-7-14-24-2)20-18(22)21-12-5-3-6-13-21/h8-10,15,23H,3-7,11-14H2,1-2H3,(H,20,22)/t19-/m0/s1
InChIKeyMPCMJTCGWZOSST-IBGZPJMESA-N
XLogP3.15
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-[(1S)-1-hydroxy-5-methoxy-1-(3-methylphenyl)pentyl]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

N-[(1R)-1-hydroxy-5-methoxy-1-phenylpentyl]benzamide
CID 91188412
3-[(1S)-1-(3-fluorophenyl)-1-hydroxy-5-methoxypentyl]piperidine-1-carboxamide
CID 143215292
3-[1-hydroxy-5-methoxy-1-[2-(3-methylphenyl)phenyl]pentyl]-N-[1-(methylamino)propan-2-yl]piperidine-1-carboxamide
CID 67192406
methyl 2-(aminomethyl)-5-methoxy-2-(3-methylphenyl)pentanoate
CID 106509400
[3-[1-[3-chloro-2-[(3-methylphenyl)methyl]phenyl]-1-hydroxy-5-methoxypentyl]piperidin-1-yl]-[4-(methylaminomethyl)phenyl]methanone
CID 68517280
3-cyclohexyl-N-methylpropan-1-amine;3-[1-(2-fluoro-3-methylphenyl)-1-hydroxy-5-methoxypentyl]azepane-1-carboxamide
CID 143215121
(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
2-(2-methoxyethylamino)-N-[2-(3-methylphenyl)propan-2-yl]acetamide
CID 119795652
tert-butyl 3-[(1S)-1-(3-bromophenyl)-1-hydroxy-5-methoxypentyl]piperidine-1-carboxylate
CID 67190161
N-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[1-(3-fluorophenyl)-1-hydroxy-5-methoxypentyl]piperidine-1-carboxamide
CID 11584044
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
N-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[1-hydroxy-5-methoxy-1-[3-(trifluoromethyl)phenyl]pentyl]piperidine-1-carboxamide
CID 11555687

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-hydroxy-5-methoxy-1-(3-methylphenyl)pentyl]piperidine-1-carboxamide?
The IUPAC name of N-[(1S)-1-hydroxy-5-methoxy-1-(3-methylphenyl)pentyl]piperidine-1-carboxamide (CID 90723597) is N-[(1S)-1-hydroxy-5-methoxy-1-(3-methylphenyl)pentyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[(1S)-1-hydroxy-5-methoxy-1-(3-methylphenyl)pentyl]piperidine-1-carboxamide?
The canonical SMILES for N-[(1S)-1-hydroxy-5-methoxy-1-(3-methylphenyl)pentyl]piperidine-1-carboxamide is COCCCC[C@@](O)(NC(=O)N1CCCCC1)c1cccc(C)c1.
What is the InChIKey of N-[(1S)-1-hydroxy-5-methoxy-1-(3-methylphenyl)pentyl]piperidine-1-carboxamide?
The InChIKey is MPCMJTCGWZOSST-IBGZPJMESA-N. The full InChI is InChI=1S/C19H30N2O3/c1-16-9-8-10-17(15-16)19(23,11-4-7-14-24-2)20-18(22)21-12-5-3-6-13-21/h8-10,15,23H,3-7,11-14H2,1-2H3,(H,20,22)/t19-/m0/s1.
What are the key properties of N-[(1S)-1-hydroxy-5-methoxy-1-(3-methylphenyl)pentyl]piperidine-1-carboxamide?
N-[(1S)-1-hydroxy-5-methoxy-1-(3-methylphenyl)pentyl]piperidine-1-carboxamide has a molecular weight of 334.46 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-hydroxy-5-methoxy-1-(3-methylphenyl)pentyl]piperidine-1-carboxamide is sourced from PubChem (CID 90723597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).