(2R,6S)-2,6-dimethyl-N-[3-[1-(methylamino)ethyl]phenyl]piperidine-1-carboxamide

C17H27N3O — CID 104968384

IUPAC(2R,6S)-2,6-dimethyl-N-[3-[1-(methylamino)ethyl]phenyl]piperidine-1-carboxamide
SMILESCNC(C)c1cccc(NC(=O)N2[C@H](C)CCC[C@@H]2C)c1
InChIInChI=1S/C17H27N3O/c1-12-7-5-8-13(2)20(12)17(21)19-16-10-6-9-15(11-16)14(3)18-4/h6,9-14,18H,5,7-8H2,1-4H3,(H,19,21)/t12-,13+,14?
InChIKeyZCHVJBFNFYOBSH-PBWFPOADSA-N
MW289.42 g/mol
LogP3.76
Rot. Bonds3

About (2R,6S)-2,6-dimethyl-N-[3-[1-(methylamino)ethyl]phenyl]piperidine-1-carboxamide

(2R,6S)-2,6-dimethyl-N-[3-[1-(methylamino)ethyl]phenyl]piperidine-1-carboxamide (PubChem CID 104968384) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is (2R,6S)-2,6-dimethyl-N-[3-[1-(methylamino)ethyl]phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(2R,6S)-2,6-dimethyl-N-[3-[1-(methylamino)ethyl]phenyl]piperidine-1-carboxamide
PubChem CID104968384
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name(2R,6S)-2,6-dimethyl-N-[3-[1-(methylamino)ethyl]phenyl]piperidine-1-carboxamide
SMILESCNC(C)c1cccc(NC(=O)N2[C@H](C)CCC[C@@H]2C)c1
InChIInChI=1S/C17H27N3O/c1-12-7-5-8-13(2)20(12)17(21)19-16-10-6-9-15(11-16)14(3)18-4/h6,9-14,18H,5,7-8H2,1-4H3,(H,19,21)/t12-,13+,14?
InChIKeyZCHVJBFNFYOBSH-PBWFPOADSA-N
XLogP3.76
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[1-(methylamino)ethyl]phenyl]cyclobutanecarboxamide
CID 43507810
N-(3-hydroxyphenyl)-2,6-dimethylpiperidine-1-carboxamide
CID 108895797
4-methyl-N-[3-[1-(methylamino)ethyl]phenyl]azepane-1-carboxamide
CID 63627419
2-cyclobutyl-N-[3-[1-(methylamino)ethyl]phenyl]acetamide
CID 103162221
N-[3-[1-(methylamino)ethyl]phenyl]-8-oxa-3-azabicyclo[3.2.1]octane-3-carboxamide
CID 66370506
N-[3-[1-(methylamino)ethyl]phenyl]acetamide
CID 43200396
3-(2-hydroxyethyl)-N-[3-[1-(methylamino)ethyl]phenyl]pyrrolidine-1-carboxamide
CID 114799612
N-[3-[1-(methylamino)ethyl]phenyl]-1,4-thiazepane-4-carboxamide
CID 61423384
2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]propanamide
CID 43507738
N-[3-[1-(ethylamino)ethyl]phenyl]-2-methylpiperidine-1-carboxamide
CID 61339628
1-(2-hydroxycyclohexyl)-3-[3-[1-(methylamino)ethyl]phenyl]urea
CID 62359300
2,6-dimethyl-N-pyridin-4-ylpiperidine-1-carboxamide
CID 110706464

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2,6-dimethyl-N-[3-[1-(methylamino)ethyl]phenyl]piperidine-1-carboxamide?
The IUPAC name of (2R,6S)-2,6-dimethyl-N-[3-[1-(methylamino)ethyl]phenyl]piperidine-1-carboxamide (CID 104968384) is (2R,6S)-2,6-dimethyl-N-[3-[1-(methylamino)ethyl]phenyl]piperidine-1-carboxamide.
What is the SMILES notation for (2R,6S)-2,6-dimethyl-N-[3-[1-(methylamino)ethyl]phenyl]piperidine-1-carboxamide?
The canonical SMILES for (2R,6S)-2,6-dimethyl-N-[3-[1-(methylamino)ethyl]phenyl]piperidine-1-carboxamide is CNC(C)c1cccc(NC(=O)N2[C@H](C)CCC[C@@H]2C)c1.
What is the InChIKey of (2R,6S)-2,6-dimethyl-N-[3-[1-(methylamino)ethyl]phenyl]piperidine-1-carboxamide?
The InChIKey is ZCHVJBFNFYOBSH-PBWFPOADSA-N. The full InChI is InChI=1S/C17H27N3O/c1-12-7-5-8-13(2)20(12)17(21)19-16-10-6-9-15(11-16)14(3)18-4/h6,9-14,18H,5,7-8H2,1-4H3,(H,19,21)/t12-,13+,14?.
What are the key properties of (2R,6S)-2,6-dimethyl-N-[3-[1-(methylamino)ethyl]phenyl]piperidine-1-carboxamide?
(2R,6S)-2,6-dimethyl-N-[3-[1-(methylamino)ethyl]phenyl]piperidine-1-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2,6-dimethyl-N-[3-[1-(methylamino)ethyl]phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 104968384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).