methyl 4-phenyl-1-(propan-2-ylcarbamoyl)piperidine-4-carboxylate

C17H24N2O3 — CID 87012984

IUPACmethyl 4-phenyl-1-(propan-2-ylcarbamoyl)piperidine-4-carboxylate
SMILESCOC(=O)C1(c2ccccc2)CCN(C(=O)NC(C)C)CC1
InChIInChI=1S/C17H24N2O3/c1-13(2)18-16(21)19-11-9-17(10-12-19,15(20)22-3)14-7-5-4-6-8-14/h4-8,13H,9-12H2,1-3H3,(H,18,21)
InChIKeyDLBUZJLMTDFYCB-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.31
Rot. Bonds3

About methyl 4-phenyl-1-(propan-2-ylcarbamoyl)piperidine-4-carboxylate

methyl 4-phenyl-1-(propan-2-ylcarbamoyl)piperidine-4-carboxylate (PubChem CID 87012984) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is methyl 4-phenyl-1-(propan-2-ylcarbamoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-phenyl-1-(propan-2-ylcarbamoyl)piperidine-4-carboxylate
PubChem CID87012984
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Namemethyl 4-phenyl-1-(propan-2-ylcarbamoyl)piperidine-4-carboxylate
SMILESCOC(=O)C1(c2ccccc2)CCN(C(=O)NC(C)C)CC1
InChIInChI=1S/C17H24N2O3/c1-13(2)18-16(21)19-11-9-17(10-12-19,15(20)22-3)14-7-5-4-6-8-14/h4-8,13H,9-12H2,1-3H3,(H,18,21)
InChIKeyDLBUZJLMTDFYCB-UHFFFAOYSA-N
XLogP2.31
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-carbamoyl-4-phenylpiperidine-4-carboxylate
CID 56977637
methyl 1-[(2R)-oxolane-2-carbonyl]-4-phenylpiperidine-4-carboxylate
CID 29362626
methyl 1-(2-methylbenzoyl)-4-phenylpiperidine-4-carboxylate
CID 46420789
methyl 1-[2-(4-hydroxyphenyl)acetyl]-4-phenylpiperidine-4-carboxylate
CID 78838423
methyl 1-[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]-4-phenylpiperidine-4-carboxylate
CID 56540269
methyl 1-(2-benzamido-3-methylbutanoyl)-4-(4-chlorophenyl)piperidine-4-carboxylate
CID 67300060
methyl 1-(2,4-difluoro-6-hydroxybenzoyl)-4-phenylpiperidine-4-carboxylate
CID 71883421
methyl 1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-phenylpiperidine-4-carboxylate
CID 95372072
methyl 1-[4-(2-chlorophenyl)oxane-4-carbonyl]-4-phenylpiperidine-4-carboxylate
CID 86897389
methyl 4-phenyl-1-(1-prop-2-ynylpiperidine-4-carbonyl)piperidine-4-carboxylate
CID 86839651
1-[2-(methylamino)propanoyl]-4-phenylpiperidine-4-carboxylic acid
CID 62639706
[2-(2-methylpropylamino)-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate
CID 8526930

Frequently Asked Questions

What is the IUPAC name of methyl 4-phenyl-1-(propan-2-ylcarbamoyl)piperidine-4-carboxylate?
The IUPAC name of methyl 4-phenyl-1-(propan-2-ylcarbamoyl)piperidine-4-carboxylate (CID 87012984) is methyl 4-phenyl-1-(propan-2-ylcarbamoyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 4-phenyl-1-(propan-2-ylcarbamoyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 4-phenyl-1-(propan-2-ylcarbamoyl)piperidine-4-carboxylate is COC(=O)C1(c2ccccc2)CCN(C(=O)NC(C)C)CC1.
What is the InChIKey of methyl 4-phenyl-1-(propan-2-ylcarbamoyl)piperidine-4-carboxylate?
The InChIKey is DLBUZJLMTDFYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-13(2)18-16(21)19-11-9-17(10-12-19,15(20)22-3)14-7-5-4-6-8-14/h4-8,13H,9-12H2,1-3H3,(H,18,21).
What are the key properties of methyl 4-phenyl-1-(propan-2-ylcarbamoyl)piperidine-4-carboxylate?
methyl 4-phenyl-1-(propan-2-ylcarbamoyl)piperidine-4-carboxylate has a molecular weight of 304.39 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-phenyl-1-(propan-2-ylcarbamoyl)piperidine-4-carboxylate is sourced from PubChem (CID 87012984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).