methyl 3-(4-methylphenyl)-3-[[1-(phenylcarbamoyl)piperidine-4-carbonyl]amino]propanoate

C24H29N3O4 — CID 47013814

IUPACmethyl 3-(4-methylphenyl)-3-[[1-(phenylcarbamoyl)piperidine-4-carbonyl]amino]propanoate
SMILESCOC(=O)CC(NC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)c1ccc(C)cc1
InChIInChI=1S/C24H29N3O4/c1-17-8-10-18(11-9-17)21(16-22(28)31-2)26-23(29)19-12-14-27(15-13-19)24(30)25-20-6-4-3-5-7-20/h3-11,19,21H,12-16H2,1-2H3,(H,25,30)(H,26,29)
InChIKeyCCFVKWUJEUHADS-UHFFFAOYSA-N
MW423.51 g/mol
LogP3.66
Rot. Bonds6

About methyl 3-(4-methylphenyl)-3-[[1-(phenylcarbamoyl)piperidine-4-carbonyl]amino]propanoate

methyl 3-(4-methylphenyl)-3-[[1-(phenylcarbamoyl)piperidine-4-carbonyl]amino]propanoate (PubChem CID 47013814) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is methyl 3-(4-methylphenyl)-3-[[1-(phenylcarbamoyl)piperidine-4-carbonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-(4-methylphenyl)-3-[[1-(phenylcarbamoyl)piperidine-4-carbonyl]amino]propanoate
PubChem CID47013814
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC Namemethyl 3-(4-methylphenyl)-3-[[1-(phenylcarbamoyl)piperidine-4-carbonyl]amino]propanoate
SMILESCOC(=O)CC(NC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)c1ccc(C)cc1
InChIInChI=1S/C24H29N3O4/c1-17-8-10-18(11-9-17)21(16-22(28)31-2)26-23(29)19-12-14-27(15-13-19)24(30)25-20-6-4-3-5-7-20/h3-11,19,21H,12-16H2,1-2H3,(H,25,30)(H,26,29)
InChIKeyCCFVKWUJEUHADS-UHFFFAOYSA-N
XLogP3.66
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 3-(4-methylphenyl)-3-[[1-(phenylcarbamoyl)piperidine-4-carbonyl]amino]propanoate with MolForge

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Related Compounds

4-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 31370513
4-N-[cyclopropyl-(4-methylphenyl)methyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 55478446
propan-2-yl 3-(2-nitrophenyl)-3-[[1-(phenylcarbamoyl)piperidine-4-carbonyl]amino]propanoate
CID 55440151
methyl (3S)-3-anilino-3-(4-methylphenyl)propanoate
CID 101375267
4-N-(6-methylheptan-2-yl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 51158606
1-acetyl-N-[1-(4-methylphenyl)propyl]piperidine-4-carboxamide
CID 6469814
methyl 3-[(2-methylcyclopropanecarbonyl)amino]-3-(4-methylphenyl)propanoate
CID 42920466
methyl (3S)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]-3-(4-methylphenyl)propanoate
CID 124822180
4-N-(1-naphthalen-1-ylethyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 42907490
4-N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 9220209
methyl (3S)-3-(4-chlorophenyl)-3-[[1-(2-nitrophenyl)piperidine-4-carbonyl]amino]propanoate
CID 27700758
tert-butyl 4-[[(1S)-1-(4-methylphenyl)propyl]carbamoyl]piperidine-1-carboxylate
CID 9155664

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-methylphenyl)-3-[[1-(phenylcarbamoyl)piperidine-4-carbonyl]amino]propanoate?
The IUPAC name of methyl 3-(4-methylphenyl)-3-[[1-(phenylcarbamoyl)piperidine-4-carbonyl]amino]propanoate (CID 47013814) is methyl 3-(4-methylphenyl)-3-[[1-(phenylcarbamoyl)piperidine-4-carbonyl]amino]propanoate.
What is the SMILES notation for methyl 3-(4-methylphenyl)-3-[[1-(phenylcarbamoyl)piperidine-4-carbonyl]amino]propanoate?
The canonical SMILES for methyl 3-(4-methylphenyl)-3-[[1-(phenylcarbamoyl)piperidine-4-carbonyl]amino]propanoate is COC(=O)CC(NC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)c1ccc(C)cc1.
What is the InChIKey of methyl 3-(4-methylphenyl)-3-[[1-(phenylcarbamoyl)piperidine-4-carbonyl]amino]propanoate?
The InChIKey is CCFVKWUJEUHADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-17-8-10-18(11-9-17)21(16-22(28)31-2)26-23(29)19-12-14-27(15-13-19)24(30)25-20-6-4-3-5-7-20/h3-11,19,21H,12-16H2,1-2H3,(H,25,30)(H,26,29).
What are the key properties of methyl 3-(4-methylphenyl)-3-[[1-(phenylcarbamoyl)piperidine-4-carbonyl]amino]propanoate?
methyl 3-(4-methylphenyl)-3-[[1-(phenylcarbamoyl)piperidine-4-carbonyl]amino]propanoate has a molecular weight of 423.51 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-methylphenyl)-3-[[1-(phenylcarbamoyl)piperidine-4-carbonyl]amino]propanoate is sourced from PubChem (CID 47013814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).