ethyl 1-[2-methyl-2-[(4-phenylphenyl)carbamoylamino]propanoyl]piperidine-4-carboxylate

C25H31N3O4 — CID 50898250

IUPACethyl 1-[2-methyl-2-[(4-phenylphenyl)carbamoylamino]propanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C(C)(C)NC(=O)Nc2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C25H31N3O4/c1-4-32-22(29)20-14-16-28(17-15-20)23(30)25(2,3)27-24(31)26-21-12-10-19(11-13-21)18-8-6-5-7-9-18/h5-13,20H,4,14-17H2,1-3H3,(H2,26,27,31)
InChIKeyYYUHOHHASVSAHQ-UHFFFAOYSA-N
MW437.54 g/mol
LogP4.06
Rot. Bonds6

About ethyl 1-[2-methyl-2-[(4-phenylphenyl)carbamoylamino]propanoyl]piperidine-4-carboxylate

ethyl 1-[2-methyl-2-[(4-phenylphenyl)carbamoylamino]propanoyl]piperidine-4-carboxylate (PubChem CID 50898250) has the molecular formula C25H31N3O4 and a molecular weight of 437.54 g/mol. Its IUPAC name is ethyl 1-[2-methyl-2-[(4-phenylphenyl)carbamoylamino]propanoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-methyl-2-[(4-phenylphenyl)carbamoylamino]propanoyl]piperidine-4-carboxylate
PubChem CID50898250
Molecular FormulaC25H31N3O4
Molecular Weight437.54 g/mol
Exact Mass437.23
IUPAC Nameethyl 1-[2-methyl-2-[(4-phenylphenyl)carbamoylamino]propanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C(C)(C)NC(=O)Nc2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C25H31N3O4/c1-4-32-22(29)20-14-16-28(17-15-20)23(30)25(2,3)27-24(31)26-21-12-10-19(11-13-21)18-8-6-5-7-9-18/h5-13,20H,4,14-17H2,1-3H3,(H2,26,27,31)
InChIKeyYYUHOHHASVSAHQ-UHFFFAOYSA-N
XLogP4.06
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 1-[3-oxo-3-(4-toluidino)propyl]-4-piperidinecarboxylate
CID 772564
Ethyl 1-[(4-methylphenyl)carbamothioyl]piperidine-4-carboxylate
CID 859070
Ethyl 1-{2-[(4-methylphenyl)amino]-2-oxoethyl}-4-phenylpiperidine-4-carboxylate
CID 4914426
1-{1-[3-(2,4-Difluoro-phenyl)-ureido]-cyclohexanecarbonyl}-piperidine-4-carboxylic acid ethyl ester
CID 3230466
1-[1-(4-Acetyl-piperazine-1-carbonyl)-cyclohexyl]-3-p-tolyl-urea
CID 6487857
3-[3-(Ethoxycarbonyl)propyl]-6-(3-ethyl-4-methylanilino)uracil
CID 11602926
N-(4-tert-butylphenyl)-4-(tetrahydro-2H-pyran-4-carbonyl)-1,4-diazepane-1-carboxamide
CID 54587373
Piperidine-1,4-dicarboxylic acid 4-[(2-cyclohex-1-enyl-ethyl)-amide] 1-p-tolylamide
CID 650464
Methyl {1-[(4-ethylphenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetate
CID 2957697
1-[1-(3-o-Tolyl-ureido)-cyclohexanecarbonyl]-piperidine-4-carboxylic acid ethyl ester
CID 3230445
Ethyl 1-[(4-ethylphenyl)carbamothioyl]piperidine-4-carboxylate
CID 4662250
4-N-benzyl-4-N-ethyl-1-N-phenylpiperidine-1,4-dicarboxamide
CID 24819997

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-methyl-2-[(4-phenylphenyl)carbamoylamino]propanoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-methyl-2-[(4-phenylphenyl)carbamoylamino]propanoyl]piperidine-4-carboxylate (CID 50898250) is ethyl 1-[2-methyl-2-[(4-phenylphenyl)carbamoylamino]propanoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-methyl-2-[(4-phenylphenyl)carbamoylamino]propanoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-methyl-2-[(4-phenylphenyl)carbamoylamino]propanoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)C(C)(C)NC(=O)Nc2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of ethyl 1-[2-methyl-2-[(4-phenylphenyl)carbamoylamino]propanoyl]piperidine-4-carboxylate?
The InChIKey is YYUHOHHASVSAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O4/c1-4-32-22(29)20-14-16-28(17-15-20)23(30)25(2,3)27-24(31)26-21-12-10-19(11-13-21)18-8-6-5-7-9-18/h5-13,20H,4,14-17H2,1-3H3,(H2,26,27,31).
What are the key properties of ethyl 1-[2-methyl-2-[(4-phenylphenyl)carbamoylamino]propanoyl]piperidine-4-carboxylate?
ethyl 1-[2-methyl-2-[(4-phenylphenyl)carbamoylamino]propanoyl]piperidine-4-carboxylate has a molecular weight of 437.54 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-methyl-2-[(4-phenylphenyl)carbamoylamino]propanoyl]piperidine-4-carboxylate is sourced from PubChem (CID 50898250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).