(3R)-N-(3,4-dimethoxyphenyl)-1-methylpiperidine-3-carboxamide

C15H22N2O3 — CID 96595344

IUPAC(3R)-N-(3,4-dimethoxyphenyl)-1-methylpiperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2CCCN(C)C2)cc1OC
InChIInChI=1S/C15H22N2O3/c1-17-8-4-5-11(10-17)15(18)16-12-6-7-13(19-2)14(9-12)20-3/h6-7,9,11H,4-5,8,10H2,1-3H3,(H,16,18)/t11-/m1/s1
InChIKeyPQTPSLOYVOZHKQ-LLVKDONJSA-N
MW278.35 g/mol
LogP1.98
Rot. Bonds4

About (3R)-N-(3,4-dimethoxyphenyl)-1-methylpiperidine-3-carboxamide

(3R)-N-(3,4-dimethoxyphenyl)-1-methylpiperidine-3-carboxamide (PubChem CID 96595344) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is (3R)-N-(3,4-dimethoxyphenyl)-1-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(3,4-dimethoxyphenyl)-1-methylpiperidine-3-carboxamide
PubChem CID96595344
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name(3R)-N-(3,4-dimethoxyphenyl)-1-methylpiperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2CCCN(C)C2)cc1OC
InChIInChI=1S/C15H22N2O3/c1-17-8-4-5-11(10-17)15(18)16-12-6-7-13(19-2)14(9-12)20-3/h6-7,9,11H,4-5,8,10H2,1-3H3,(H,16,18)/t11-/m1/s1
InChIKeyPQTPSLOYVOZHKQ-LLVKDONJSA-N
XLogP1.98
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(dimethylcarbamoyl)-4-methoxyphenyl]-1-methylpiperidine-3-carboxamide
CID 131939950
(3S)-N-(3,4-dimethoxyphenyl)-1-ethylsulfonylpiperidine-3-carboxamide
CID 41447145
N-(3-chloro-4-methoxyphenyl)-1-methylpyrrolidine-3-carboxamide
CID 110859513
methyl 2-chloro-5-[[(3R)-1-methylpiperidine-3-carbonyl]amino]benzoate
CID 95923491
(3S)-N-(3,4-dichlorophenyl)-1-methylpiperidine-3-carboxamide
CID 96596420
N-(3,4-difluorophenyl)-1-methylpiperidine-3-carboxamide
CID 110865367
N-(2,4-dimethoxyphenyl)-1-methylpiperidine-3-carboxamide
CID 110860603
(3S)-N-(3-chloro-4-methylphenyl)-1-methylpiperidine-3-carboxamide
CID 99773447
(3R)-N-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 26690986
1-(4-bromophenyl)sulfonyl-N-(3,4-dimethoxyphenyl)piperidine-3-carboxamide
CID 4045668
(3R)-N-(3,4-dimethoxyphenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 126398481
(3R)-N-(3-acetamidophenyl)-1-methylpiperidine-3-carboxamide
CID 96596050

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3,4-dimethoxyphenyl)-1-methylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-(3,4-dimethoxyphenyl)-1-methylpiperidine-3-carboxamide (CID 96595344) is (3R)-N-(3,4-dimethoxyphenyl)-1-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(3,4-dimethoxyphenyl)-1-methylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(3,4-dimethoxyphenyl)-1-methylpiperidine-3-carboxamide is COc1ccc(NC(=O)[C@@H]2CCCN(C)C2)cc1OC.
What is the InChIKey of (3R)-N-(3,4-dimethoxyphenyl)-1-methylpiperidine-3-carboxamide?
The InChIKey is PQTPSLOYVOZHKQ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-17-8-4-5-11(10-17)15(18)16-12-6-7-13(19-2)14(9-12)20-3/h6-7,9,11H,4-5,8,10H2,1-3H3,(H,16,18)/t11-/m1/s1.
What are the key properties of (3R)-N-(3,4-dimethoxyphenyl)-1-methylpiperidine-3-carboxamide?
(3R)-N-(3,4-dimethoxyphenyl)-1-methylpiperidine-3-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3,4-dimethoxyphenyl)-1-methylpiperidine-3-carboxamide is sourced from PubChem (CID 96595344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).