(2R)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]piperidine-2-carboxamide;dihydrochloride

C17H29Cl2N3O2 — CID 119830989

IUPAC(2R)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]piperidine-2-carboxamide;dihydrochloride
SMILESCOc1cccc(C(CNC(=O)[C@H]2CCCCN2)N(C)C)c1.Cl.Cl
InChIInChI=1S/C17H27N3O2.2ClH/c1-20(2)16(13-7-6-8-14(11-13)22-3)12-19-17(21)15-9-4-5-10-18-15;;/h6-8,11,15-16,18H,4-5,9-10,12H2,1-3H3,(H,19,21);2*1H/t15-,16?;;/m1../s1
InChIKeyFGKGKEPEPGPZPT-VDBWQEELSA-N
MW378.34 g/mol
LogP2.40
Rot. Bonds6

About (2R)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]piperidine-2-carboxamide;dihydrochloride

(2R)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]piperidine-2-carboxamide;dihydrochloride (PubChem CID 119830989) has the molecular formula C17H29Cl2N3O2 and a molecular weight of 378.34 g/mol. Its IUPAC name is (2R)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]piperidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name(2R)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]piperidine-2-carboxamide;dihydrochloride
PubChem CID119830989
Molecular FormulaC17H29Cl2N3O2
Molecular Weight378.34 g/mol
Exact Mass377.16
IUPAC Name(2R)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]piperidine-2-carboxamide;dihydrochloride
SMILESCOc1cccc(C(CNC(=O)[C@H]2CCCCN2)N(C)C)c1.Cl.Cl
InChIInChI=1S/C17H27N3O2.2ClH/c1-20(2)16(13-7-6-8-14(11-13)22-3)12-19-17(21)15-9-4-5-10-18-15;;/h6-8,11,15-16,18H,4-5,9-10,12H2,1-3H3,(H,19,21);2*1H/t15-,16?;;/m1../s1
InChIKeyFGKGKEPEPGPZPT-VDBWQEELSA-N
XLogP2.40
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.34
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide
CID 120631312
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119831071
1-(3-methoxyphenyl)-N,N-dimethyl-N'-(piperidin-2-ylmethyl)ethane-1,2-diamine
CID 106632816
2-cyclopentyl-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide
CID 51186688
N-[1-(3-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119280218
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]morpholine-2-carboxamide;dihydrochloride
CID 119831068
N-(2-methoxy-2-phenylethyl)piperidine-2-carboxamide;hydrochloride
CID 119278882
(2S)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]piperidine-2-carboxamide;dihydrochloride
CID 119830031
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-methylpropanamide
CID 51186668
N-[3-(3-methoxyphenyl)propyl]piperidine-2-carboxamide;hydrochloride
CID 119316858
(2R)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]piperidine-2-carboxamide
CID 104913652
1-(1-cyclopentyl-2,2,2-trifluoroethyl)-3-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]urea
CID 75457805

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]piperidine-2-carboxamide;dihydrochloride?
The IUPAC name of (2R)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]piperidine-2-carboxamide;dihydrochloride (CID 119830989) is (2R)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]piperidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for (2R)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]piperidine-2-carboxamide;dihydrochloride?
The canonical SMILES for (2R)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]piperidine-2-carboxamide;dihydrochloride is COc1cccc(C(CNC(=O)[C@H]2CCCCN2)N(C)C)c1.Cl.Cl.
What is the InChIKey of (2R)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]piperidine-2-carboxamide;dihydrochloride?
The InChIKey is FGKGKEPEPGPZPT-VDBWQEELSA-N. The full InChI is InChI=1S/C17H27N3O2.2ClH/c1-20(2)16(13-7-6-8-14(11-13)22-3)12-19-17(21)15-9-4-5-10-18-15;;/h6-8,11,15-16,18H,4-5,9-10,12H2,1-3H3,(H,19,21);2*1H/t15-,16?;;/m1../s1.
What are the key properties of (2R)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]piperidine-2-carboxamide;dihydrochloride?
(2R)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]piperidine-2-carboxamide;dihydrochloride has a molecular weight of 378.34 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]piperidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119830989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).