(2S,4S)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide

C18H29N3O2 — CID 120631312

IUPAC(2S,4S)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide
SMILESCOc1cccc(C(CNC(=O)[C@H]2CCN[C@@H](C)C2)N(C)C)c1
InChIInChI=1S/C18H29N3O2/c1-13-10-15(8-9-19-13)18(22)20-12-17(21(2)3)14-6-5-7-16(11-14)23-4/h5-7,11,13,15,17,19H,8-10,12H2,1-4H3,(H,20,22)/t13-,15-,17?/m0/s1
InChIKeyRMLCAPVWLWFOMR-JENVPCQVSA-N
MW319.45 g/mol
LogP1.80
Rot. Bonds6

About (2S,4S)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide

(2S,4S)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide (PubChem CID 120631312) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is (2S,4S)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide
PubChem CID120631312
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name(2S,4S)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide
SMILESCOc1cccc(C(CNC(=O)[C@H]2CCN[C@@H](C)C2)N(C)C)c1
InChIInChI=1S/C18H29N3O2/c1-13-10-15(8-9-19-13)18(22)20-12-17(21(2)3)14-6-5-7-16(11-14)23-4/h5-7,11,13,15,17,19H,8-10,12H2,1-4H3,(H,20,22)/t13-,15-,17?/m0/s1
InChIKeyRMLCAPVWLWFOMR-JENVPCQVSA-N
XLogP1.80
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methylpiperidine-4-carboxamide
CID 120631213
(2R)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]piperidine-2-carboxamide;dihydrochloride
CID 119830989
3-amino-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 119837688
(2S,4S)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide
CID 120623267
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119831071
2-cyclopentyl-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide
CID 51186688
(2S,4S)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120631379
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]morpholine-2-carboxamide;dihydrochloride
CID 119831068
(2S,5R)-5-(aminomethyl)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]oxolane-2-carboxamide
CID 120796996
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 55499022
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-methylpropanamide
CID 51186668
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 51186682

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide?
The IUPAC name of (2S,4S)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide (CID 120631312) is (2S,4S)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide is COc1cccc(C(CNC(=O)[C@H]2CCN[C@@H](C)C2)N(C)C)c1.
What is the InChIKey of (2S,4S)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide?
The InChIKey is RMLCAPVWLWFOMR-JENVPCQVSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-13-10-15(8-9-19-13)18(22)20-12-17(21(2)3)14-6-5-7-16(11-14)23-4/h5-7,11,13,15,17,19H,8-10,12H2,1-4H3,(H,20,22)/t13-,15-,17?/m0/s1.
What are the key properties of (2S,4S)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide?
(2S,4S)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide has a molecular weight of 319.45 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 120631312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).