N-[(1S)-1-(3,5-dimethylphenyl)ethyl]-4-ethoxypiperidine-1-carboxamide

C18H28N2O2 — CID 95615954

IUPACN-[(1S)-1-(3,5-dimethylphenyl)ethyl]-4-ethoxypiperidine-1-carboxamide
SMILESCCOC1CCN(C(=O)N[C@@H](C)c2cc(C)cc(C)c2)CC1
InChIInChI=1S/C18H28N2O2/c1-5-22-17-6-8-20(9-7-17)18(21)19-15(4)16-11-13(2)10-14(3)12-16/h10-12,15,17H,5-9H2,1-4H3,(H,19,21)/t15-/m0/s1
InChIKeyDYDUIJPZATVEFY-HNNXBMFYSA-N
MW304.43 g/mol
LogP3.57
Rot. Bonds4

About N-[(1S)-1-(3,5-dimethylphenyl)ethyl]-4-ethoxypiperidine-1-carboxamide

N-[(1S)-1-(3,5-dimethylphenyl)ethyl]-4-ethoxypiperidine-1-carboxamide (PubChem CID 95615954) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-[(1S)-1-(3,5-dimethylphenyl)ethyl]-4-ethoxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(3,5-dimethylphenyl)ethyl]-4-ethoxypiperidine-1-carboxamide
PubChem CID95615954
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-[(1S)-1-(3,5-dimethylphenyl)ethyl]-4-ethoxypiperidine-1-carboxamide
SMILESCCOC1CCN(C(=O)N[C@@H](C)c2cc(C)cc(C)c2)CC1
InChIInChI=1S/C18H28N2O2/c1-5-22-17-6-8-20(9-7-17)18(21)19-15(4)16-11-13(2)10-14(3)12-16/h10-12,15,17H,5-9H2,1-4H3,(H,19,21)/t15-/m0/s1
InChIKeyDYDUIJPZATVEFY-HNNXBMFYSA-N
XLogP3.57
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 ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-4-ethoxypiperidine-1-carboxamide
CID 51091257
4-(2-amino-2-oxoethyl)-N-[1-(3,5-dimethylphenyl)ethyl]piperidine-1-carboxamide
CID 56783182
3-[(4-ethoxypiperidine-1-carbonyl)amino]butanoic acid
CID 61216878
N-[(S)-cyclobutyl-(4-fluorophenyl)methyl]-4-ethoxypiperidine-1-carboxamide
CID 95573108
(2R)-2-(dimethylamino)-1-(4-ethoxypiperidin-1-yl)-2-(4-methylphenyl)ethanone
CID 97129286
N-[(2S)-1-(3,5-dimethylphenyl)propan-2-yl]-4-methoxypiperidine-1-carboxamide
CID 95975963
N-[1-(3,5-dimethylphenyl)ethyl]-3-ethoxycyclobutan-1-amine
CID 103917481
(3-bromo-5-methylphenyl)-(4-ethoxypiperidin-1-yl)methanone
CID 113460719
N-(1-cyclopropyl-2-phenylethyl)-4-ethoxypiperidine-1-carboxamide
CID 56793712
(2R)-4-amino-2-[(4-ethoxypiperidine-1-carbonyl)amino]-4-oxobutanoic acid
CID 107826479

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3,5-dimethylphenyl)ethyl]-4-ethoxypiperidine-1-carboxamide?
The IUPAC name of N-[(1S)-1-(3,5-dimethylphenyl)ethyl]-4-ethoxypiperidine-1-carboxamide (CID 95615954) is N-[(1S)-1-(3,5-dimethylphenyl)ethyl]-4-ethoxypiperidine-1-carboxamide.
What is the SMILES notation for N-[(1S)-1-(3,5-dimethylphenyl)ethyl]-4-ethoxypiperidine-1-carboxamide?
The canonical SMILES for N-[(1S)-1-(3,5-dimethylphenyl)ethyl]-4-ethoxypiperidine-1-carboxamide is CCOC1CCN(C(=O)N[C@@H](C)c2cc(C)cc(C)c2)CC1.
What is the InChIKey of N-[(1S)-1-(3,5-dimethylphenyl)ethyl]-4-ethoxypiperidine-1-carboxamide?
The InChIKey is DYDUIJPZATVEFY-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-5-22-17-6-8-20(9-7-17)18(21)19-15(4)16-11-13(2)10-14(3)12-16/h10-12,15,17H,5-9H2,1-4H3,(H,19,21)/t15-/m0/s1.
What are the key properties of N-[(1S)-1-(3,5-dimethylphenyl)ethyl]-4-ethoxypiperidine-1-carboxamide?
N-[(1S)-1-(3,5-dimethylphenyl)ethyl]-4-ethoxypiperidine-1-carboxamide has a molecular weight of 304.43 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3,5-dimethylphenyl)ethyl]-4-ethoxypiperidine-1-carboxamide is sourced from PubChem (CID 95615954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).