methyl 1-carbamoyl-4-phenylpiperidine-4-carboxylate

C14H18N2O3 — CID 56977637

IUPACmethyl 1-carbamoyl-4-phenylpiperidine-4-carboxylate
SMILESCOC(=O)C1(c2ccccc2)CCN(C(N)=O)CC1
InChIInChI=1S/C14H18N2O3/c1-19-12(17)14(11-5-3-2-4-6-11)7-9-16(10-8-14)13(15)18/h2-6H,7-10H2,1H3,(H2,15,18)
InChIKeyBKSAEJBEVSVXML-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.27
Rot. Bonds2

About methyl 1-carbamoyl-4-phenylpiperidine-4-carboxylate

methyl 1-carbamoyl-4-phenylpiperidine-4-carboxylate (PubChem CID 56977637) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is methyl 1-carbamoyl-4-phenylpiperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-carbamoyl-4-phenylpiperidine-4-carboxylate
PubChem CID56977637
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Namemethyl 1-carbamoyl-4-phenylpiperidine-4-carboxylate
SMILESCOC(=O)C1(c2ccccc2)CCN(C(N)=O)CC1
InChIInChI=1S/C14H18N2O3/c1-19-12(17)14(11-5-3-2-4-6-11)7-9-16(10-8-14)13(15)18/h2-6H,7-10H2,1H3,(H2,15,18)
InChIKeyBKSAEJBEVSVXML-UHFFFAOYSA-N
XLogP1.27
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-phenyl-1-(propan-2-ylcarbamoyl)piperidine-4-carboxylate
CID 87012984
piperidin-1-yl 1-carbamoyl-4-phenylpiperidine-4-carboxylate
CID 57092113
methyl 1-(2-methylbenzoyl)-4-phenylpiperidine-4-carboxylate
CID 46420789
methyl 1-[2-(4-hydroxyphenyl)acetyl]-4-phenylpiperidine-4-carboxylate
CID 78838423
methyl 1-[(2R)-oxolane-2-carbonyl]-4-phenylpiperidine-4-carboxylate
CID 29362626
methyl 1-(2,4-difluoro-6-hydroxybenzoyl)-4-phenylpiperidine-4-carboxylate
CID 71883421
methyl 1-[2-(6-bromonaphthalen-2-yl)oxyacetyl]-4-phenylpiperidine-4-carboxylate
CID 55776250
methyl 4-phenyl-1-(1-prop-2-ynylpiperidine-4-carbonyl)piperidine-4-carboxylate
CID 86839651
methyl 1-[4-(2-chlorophenyl)oxane-4-carbonyl]-4-phenylpiperidine-4-carboxylate
CID 86897389
methyl 4-[(2-amino-2-oxoethyl)amino]-1-phenylcyclohexane-1-carboxylate
CID 18789777
methyl 1-[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]-4-phenylpiperidine-4-carboxylate
CID 56540269
1-(4-methoxybenzoyl)-4-phenylpiperidine-4-carboxylic acid
CID 22240655

Frequently Asked Questions

What is the IUPAC name of methyl 1-carbamoyl-4-phenylpiperidine-4-carboxylate?
The IUPAC name of methyl 1-carbamoyl-4-phenylpiperidine-4-carboxylate (CID 56977637) is methyl 1-carbamoyl-4-phenylpiperidine-4-carboxylate.
What is the SMILES notation for methyl 1-carbamoyl-4-phenylpiperidine-4-carboxylate?
The canonical SMILES for methyl 1-carbamoyl-4-phenylpiperidine-4-carboxylate is COC(=O)C1(c2ccccc2)CCN(C(N)=O)CC1.
What is the InChIKey of methyl 1-carbamoyl-4-phenylpiperidine-4-carboxylate?
The InChIKey is BKSAEJBEVSVXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-19-12(17)14(11-5-3-2-4-6-11)7-9-16(10-8-14)13(15)18/h2-6H,7-10H2,1H3,(H2,15,18).
What are the key properties of methyl 1-carbamoyl-4-phenylpiperidine-4-carboxylate?
methyl 1-carbamoyl-4-phenylpiperidine-4-carboxylate has a molecular weight of 262.31 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-carbamoyl-4-phenylpiperidine-4-carboxylate is sourced from PubChem (CID 56977637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).