methyl 2-[(3-methylpiperidine-2-carbonyl)amino]-2-phenylacetate

C16H22N2O3 — CID 107068110

IUPACmethyl 2-[(3-methylpiperidine-2-carbonyl)amino]-2-phenylacetate
SMILESCOC(=O)C(NC(=O)C1NCCCC1C)c1ccccc1
InChIInChI=1S/C16H22N2O3/c1-11-7-6-10-17-13(11)15(19)18-14(16(20)21-2)12-8-4-3-5-9-12/h3-5,8-9,11,13-14,17H,6-7,10H2,1-2H3,(H,18,19)
InChIKeyXCTHKMDXBKBQRV-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.40
Rot. Bonds4

About methyl 2-[(3-methylpiperidine-2-carbonyl)amino]-2-phenylacetate

methyl 2-[(3-methylpiperidine-2-carbonyl)amino]-2-phenylacetate (PubChem CID 107068110) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is methyl 2-[(3-methylpiperidine-2-carbonyl)amino]-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-[(3-methylpiperidine-2-carbonyl)amino]-2-phenylacetate
PubChem CID107068110
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Namemethyl 2-[(3-methylpiperidine-2-carbonyl)amino]-2-phenylacetate
SMILESCOC(=O)C(NC(=O)C1NCCCC1C)c1ccccc1
InChIInChI=1S/C16H22N2O3/c1-11-7-6-10-17-13(11)15(19)18-14(16(20)21-2)12-8-4-3-5-9-12/h3-5,8-9,11,13-14,17H,6-7,10H2,1-2H3,(H,18,19)
InChIKeyXCTHKMDXBKBQRV-UHFFFAOYSA-N
XLogP1.40
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-methylpiperidine-2-carbonyl)amino]-2-phenylacetic acid
CID 107067870
3-methyl-N-(3-methyl-1-phenylbutyl)piperidine-2-carboxamide
CID 107067392
methyl 2-phenyl-2-[(2-pyrrolidin-2-ylacetyl)amino]acetate;hydrochloride
CID 119707961
N-[1-(3-chlorophenyl)ethyl]-3-methylpiperidine-2-carboxamide
CID 107067843
methyl (2R)-2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-phenylacetate
CID 98077087
N-(2-hydroxy-1-phenylethyl)-3-methylpyrrolidine-2-carboxamide
CID 102779419
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-methylcyclopentane-1-carboxamide
CID 107178672
N-[(1R)-1-(2-bromophenyl)ethyl]-3-methylpiperidine-2-carboxamide
CID 107068435
2-[[(3R,5S)-3,5-bis[(2-methoxy-2-oxo-1-phenylethyl)carbamoyl]cyclohexanecarbonyl]amino]-2-phenylacetic acid
CID 122202039
methyl 2-[(4-methylcycloheptyl)amino]-2-phenylacetate
CID 65080240
3-methyl-N-(1-phenylbutyl)pyrrolidine-2-carboxamide
CID 102778018
methyl 2-(cyclohexylamino)-2-phenylacetate
CID 3755192

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-methylpiperidine-2-carbonyl)amino]-2-phenylacetate?
The IUPAC name of methyl 2-[(3-methylpiperidine-2-carbonyl)amino]-2-phenylacetate (CID 107068110) is methyl 2-[(3-methylpiperidine-2-carbonyl)amino]-2-phenylacetate.
What is the SMILES notation for methyl 2-[(3-methylpiperidine-2-carbonyl)amino]-2-phenylacetate?
The canonical SMILES for methyl 2-[(3-methylpiperidine-2-carbonyl)amino]-2-phenylacetate is COC(=O)C(NC(=O)C1NCCCC1C)c1ccccc1.
What is the InChIKey of methyl 2-[(3-methylpiperidine-2-carbonyl)amino]-2-phenylacetate?
The InChIKey is XCTHKMDXBKBQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11-7-6-10-17-13(11)15(19)18-14(16(20)21-2)12-8-4-3-5-9-12/h3-5,8-9,11,13-14,17H,6-7,10H2,1-2H3,(H,18,19).
What are the key properties of methyl 2-[(3-methylpiperidine-2-carbonyl)amino]-2-phenylacetate?
methyl 2-[(3-methylpiperidine-2-carbonyl)amino]-2-phenylacetate has a molecular weight of 290.36 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-methylpiperidine-2-carbonyl)amino]-2-phenylacetate is sourced from PubChem (CID 107068110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).