N-[(2S)-1-(3,5-dimethylphenyl)propan-2-yl]-4-methoxypiperidine-1-carboxamide

C18H28N2O2 — CID 95975963

IUPACN-[(2S)-1-(3,5-dimethylphenyl)propan-2-yl]-4-methoxypiperidine-1-carboxamide
SMILESCOC1CCN(C(=O)N[C@@H](C)Cc2cc(C)cc(C)c2)CC1
InChIInChI=1S/C18H28N2O2/c1-13-9-14(2)11-16(10-13)12-15(3)19-18(21)20-7-5-17(22-4)6-8-20/h9-11,15,17H,5-8,12H2,1-4H3,(H,19,21)/t15-/m0/s1
InChIKeyPJIDKHYPFNJYOW-HNNXBMFYSA-N
MW304.43 g/mol
LogP3.05
Rot. Bonds4

About N-[(2S)-1-(3,5-dimethylphenyl)propan-2-yl]-4-methoxypiperidine-1-carboxamide

N-[(2S)-1-(3,5-dimethylphenyl)propan-2-yl]-4-methoxypiperidine-1-carboxamide (PubChem CID 95975963) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-[(2S)-1-(3,5-dimethylphenyl)propan-2-yl]-4-methoxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(3,5-dimethylphenyl)propan-2-yl]-4-methoxypiperidine-1-carboxamide
PubChem CID95975963
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-[(2S)-1-(3,5-dimethylphenyl)propan-2-yl]-4-methoxypiperidine-1-carboxamide
SMILESCOC1CCN(C(=O)N[C@@H](C)Cc2cc(C)cc(C)c2)CC1
InChIInChI=1S/C18H28N2O2/c1-13-9-14(2)11-16(10-13)12-15(3)19-18(21)20-7-5-17(22-4)6-8-20/h9-11,15,17H,5-8,12H2,1-4H3,(H,19,21)/t15-/m0/s1
InChIKeyPJIDKHYPFNJYOW-HNNXBMFYSA-N
XLogP3.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2S)-1-(3,5-dimethylphenyl)propan-2-yl]-4-methoxypiperidine-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-[1-(3,5-dimethylphenyl)propan-2-yl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111508473
N-[(2R)-butan-2-yl]-4-methoxypiperidine-1-carboxamide
CID 95051739
N-[(1S)-1-(3,5-dimethylphenyl)ethyl]-4-ethoxypiperidine-1-carboxamide
CID 95615954
N-[1-(3,5-dimethylphenyl)ethyl]-4-ethoxypiperidine-1-carboxamide
CID 56783177
N-[(1R)-1-(3,5-dimethylphenyl)ethyl]-4-ethoxypiperidine-1-carboxamide
CID 95615955
(6R)-4-N-[1-(3,5-dimethylphenyl)propan-2-yl]-6-methylmorpholine-2,4-dicarboxamide
CID 122137895
4-(hydroxymethyl)-N-[1-(3-methoxyphenyl)propan-2-yl]piperidine-1-carboxamide
CID 111122302
4-methoxy-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]piperidine-1-carboxamide
CID 47328029
4-(1-hydroxyethyl)-N-[1-(3-methoxyphenyl)propan-2-yl]piperidine-1-carboxamide
CID 111438806
2-[(4-methoxypiperidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 61199167
ethyl 1-[1-(4-hydroxyphenyl)propan-2-ylcarbamoyl]piperidine-4-carboxylate
CID 60577832
3-hydroxy-2-[(4-methoxypiperidine-1-carbonyl)amino]butanoic acid
CID 61199165

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(3,5-dimethylphenyl)propan-2-yl]-4-methoxypiperidine-1-carboxamide?
The IUPAC name of N-[(2S)-1-(3,5-dimethylphenyl)propan-2-yl]-4-methoxypiperidine-1-carboxamide (CID 95975963) is N-[(2S)-1-(3,5-dimethylphenyl)propan-2-yl]-4-methoxypiperidine-1-carboxamide.
What is the SMILES notation for N-[(2S)-1-(3,5-dimethylphenyl)propan-2-yl]-4-methoxypiperidine-1-carboxamide?
The canonical SMILES for N-[(2S)-1-(3,5-dimethylphenyl)propan-2-yl]-4-methoxypiperidine-1-carboxamide is COC1CCN(C(=O)N[C@@H](C)Cc2cc(C)cc(C)c2)CC1.
What is the InChIKey of N-[(2S)-1-(3,5-dimethylphenyl)propan-2-yl]-4-methoxypiperidine-1-carboxamide?
The InChIKey is PJIDKHYPFNJYOW-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-13-9-14(2)11-16(10-13)12-15(3)19-18(21)20-7-5-17(22-4)6-8-20/h9-11,15,17H,5-8,12H2,1-4H3,(H,19,21)/t15-/m0/s1.
What are the key properties of N-[(2S)-1-(3,5-dimethylphenyl)propan-2-yl]-4-methoxypiperidine-1-carboxamide?
N-[(2S)-1-(3,5-dimethylphenyl)propan-2-yl]-4-methoxypiperidine-1-carboxamide has a molecular weight of 304.43 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(3,5-dimethylphenyl)propan-2-yl]-4-methoxypiperidine-1-carboxamide is sourced from PubChem (CID 95975963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).