1-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-4-N-phenylpiperidine-1,4-dicarboxamide

C23H29N3O4 — CID 25490674

IUPAC1-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-4-N-phenylpiperidine-1,4-dicarboxamide
SMILESCOc1ccc(OC)c([C@@H](C)NC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c1
InChIInChI=1S/C23H29N3O4/c1-16(20-15-19(29-2)9-10-21(20)30-3)24-23(28)26-13-11-17(12-14-26)22(27)25-18-7-5-4-6-8-18/h4-10,15-17H,11-14H2,1-3H3,(H,24,28)(H,25,27)/t16-/m1/s1
InChIKeyLRRDQWVFJKTOGJ-MRXNPFEDSA-N
MW411.50 g/mol
LogP3.83
Rot. Bonds6

About 1-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-4-N-phenylpiperidine-1,4-dicarboxamide

1-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-4-N-phenylpiperidine-1,4-dicarboxamide (PubChem CID 25490674) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is 1-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-4-N-phenylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-4-N-phenylpiperidine-1,4-dicarboxamide
PubChem CID25490674
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC Name1-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-4-N-phenylpiperidine-1,4-dicarboxamide
SMILESCOc1ccc(OC)c([C@@H](C)NC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c1
InChIInChI=1S/C23H29N3O4/c1-16(20-15-19(29-2)9-10-21(20)30-3)24-23(28)26-13-11-17(12-14-26)22(27)25-18-7-5-4-6-8-18/h4-10,15-17H,11-14H2,1-3H3,(H,24,28)(H,25,27)/t16-/m1/s1
InChIKeyLRRDQWVFJKTOGJ-MRXNPFEDSA-N
XLogP3.83
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,5-dimethoxyphenyl)ethyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 51221677
4-N-(4-methoxyphenyl)-1-N-propan-2-ylpiperidine-1,4-dicarboxamide
CID 46428723
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-1-(4-methoxynaphthalene-1-carbonyl)piperidine-4-carboxamide
CID 25495590
4-benzoyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidine-1-carboxamide
CID 42935380
4-N-(3-hydroxy-4-methoxyphenyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 7478742
1-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 9134267
N-[1-(2,5-dimethoxyphenyl)ethyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 55566682
1-N-[1-(3,4-difluorophenyl)ethyl]-4-N-phenylpiperidine-1,4-dicarboxamide
CID 51275131
2-anilino-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 119691812
1-[1-[1-(2,5-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 119907878
N-[1-(2,4-dimethoxyphenyl)ethyl]azocane-1-carboxamide
CID 87004692
1-[(4-chlorophenyl)methyl]-N-[1-(2,5-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 133161823

Frequently Asked Questions

What is the IUPAC name of 1-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-4-N-phenylpiperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-4-N-phenylpiperidine-1,4-dicarboxamide (CID 25490674) is 1-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-4-N-phenylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-4-N-phenylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-4-N-phenylpiperidine-1,4-dicarboxamide is COc1ccc(OC)c([C@@H](C)NC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c1.
What is the InChIKey of 1-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-4-N-phenylpiperidine-1,4-dicarboxamide?
The InChIKey is LRRDQWVFJKTOGJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-16(20-15-19(29-2)9-10-21(20)30-3)24-23(28)26-13-11-17(12-14-26)22(27)25-18-7-5-4-6-8-18/h4-10,15-17H,11-14H2,1-3H3,(H,24,28)(H,25,27)/t16-/m1/s1.
What are the key properties of 1-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-4-N-phenylpiperidine-1,4-dicarboxamide?
1-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-4-N-phenylpiperidine-1,4-dicarboxamide has a molecular weight of 411.50 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-4-N-phenylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 25490674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).