(3R)-3-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-N-methyl-1-N-phenylpiperidine-1,3-dicarboxamide

C24H31N3O4 — CID 9084986

IUPAC(3R)-3-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-N-methyl-1-N-phenylpiperidine-1,3-dicarboxamide
SMILESCOc1cc(C)c(CN(C)C(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1OC
InChIInChI=1S/C24H31N3O4/c1-17-13-21(30-3)22(31-4)14-19(17)15-26(2)23(28)18-9-8-12-27(16-18)24(29)25-20-10-6-5-7-11-20/h5-7,10-11,13-14,18H,8-9,12,15-16H2,1-4H3,(H,25,29)/t18-/m1/s1
InChIKeyQSNUQEJHCDXMNO-GOSISDBHSA-N
MW425.53 g/mol
LogP3.91
Rot. Bonds6

About (3R)-3-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-N-methyl-1-N-phenylpiperidine-1,3-dicarboxamide

(3R)-3-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-N-methyl-1-N-phenylpiperidine-1,3-dicarboxamide (PubChem CID 9084986) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is (3R)-3-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-N-methyl-1-N-phenylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3R)-3-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-N-methyl-1-N-phenylpiperidine-1,3-dicarboxamide
PubChem CID9084986
Molecular FormulaC24H31N3O4
Molecular Weight425.53 g/mol
Exact Mass425.23
IUPAC Name(3R)-3-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-N-methyl-1-N-phenylpiperidine-1,3-dicarboxamide
SMILESCOc1cc(C)c(CN(C)C(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1OC
InChIInChI=1S/C24H31N3O4/c1-17-13-21(30-3)22(31-4)14-19(17)15-26(2)23(28)18-9-8-12-27(16-18)24(29)25-20-10-6-5-7-11-20/h5-7,10-11,13-14,18H,8-9,12,15-16H2,1-4H3,(H,25,29)/t18-/m1/s1
InChIKeyQSNUQEJHCDXMNO-GOSISDBHSA-N
XLogP3.91
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-3-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-N-methyl-1-N-phenylpiperidine-1,3-dicarboxamide with MolForge

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Related Compounds

3-N-[(2,4-dimethoxyphenyl)methyl]-3-N-methyl-1-N-phenylpiperidine-1,3-dicarboxamide
CID 55413626
3-N-methyl-1-N-phenyl-3-N-[(2-pyrrolidin-1-ylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 17447922
(3R)-3-N-methyl-3-N-(naphthalen-2-ylmethyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 94406394
(3R)-1-N-phenyl-3-N-[(2,4,5-trimethoxyphenyl)methyl]piperidine-1,3-dicarboxamide
CID 8532806
3-N-methyl-3-N-[2-(2-methylpropanoylamino)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 75396728
3-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-N-methyl-1-N-phenylpiperidine-1,3-dicarboxamide
CID 55621859
(4,5-dimethoxy-2-methylphenyl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836685
3-N-[2-(diethylamino)-2-oxoethyl]-3-N-methyl-1-N-phenylpiperidine-1,3-dicarboxamide
CID 51328766
4-[(4,5-dimethoxy-2-methylphenyl)methyl-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120690580
(3S)-3-N-[(2-methoxyphenyl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9083501
(3R)-3-N-methyl-1-N-phenyl-3-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-1,3-dicarboxamide
CID 8962325
3-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-N-methyl-1-N-phenylpiperidine-1,3-dicarboxamide
CID 134044641

Frequently Asked Questions

What is the IUPAC name of (3R)-3-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-N-methyl-1-N-phenylpiperidine-1,3-dicarboxamide?
The IUPAC name of (3R)-3-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-N-methyl-1-N-phenylpiperidine-1,3-dicarboxamide (CID 9084986) is (3R)-3-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-N-methyl-1-N-phenylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for (3R)-3-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-N-methyl-1-N-phenylpiperidine-1,3-dicarboxamide?
The canonical SMILES for (3R)-3-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-N-methyl-1-N-phenylpiperidine-1,3-dicarboxamide is COc1cc(C)c(CN(C)C(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1OC.
What is the InChIKey of (3R)-3-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-N-methyl-1-N-phenylpiperidine-1,3-dicarboxamide?
The InChIKey is QSNUQEJHCDXMNO-GOSISDBHSA-N. The full InChI is InChI=1S/C24H31N3O4/c1-17-13-21(30-3)22(31-4)14-19(17)15-26(2)23(28)18-9-8-12-27(16-18)24(29)25-20-10-6-5-7-11-20/h5-7,10-11,13-14,18H,8-9,12,15-16H2,1-4H3,(H,25,29)/t18-/m1/s1.
What are the key properties of (3R)-3-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-N-methyl-1-N-phenylpiperidine-1,3-dicarboxamide?
(3R)-3-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-N-methyl-1-N-phenylpiperidine-1,3-dicarboxamide has a molecular weight of 425.53 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-N-methyl-1-N-phenylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 9084986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).