6-methyl-1-[(2R)-2-phenylpropanoyl]piperidine-3-carboxylic acid

C16H21NO3 — CID 122112962

IUPAC6-methyl-1-[(2R)-2-phenylpropanoyl]piperidine-3-carboxylic acid
SMILESCC1CCC(C(=O)O)CN1C(=O)[C@H](C)c1ccccc1
InChIInChI=1S/C16H21NO3/c1-11-8-9-14(16(19)20)10-17(11)15(18)12(2)13-6-4-3-5-7-13/h3-7,11-12,14H,8-10H2,1-2H3,(H,19,20)/t11?,12-,14?/m1/s1
InChIKeyFNYSKGVOKCEBEJ-MBHSVXNSSA-N
MW275.35 g/mol
LogP2.50
Rot. Bonds3

About 6-methyl-1-[(2R)-2-phenylpropanoyl]piperidine-3-carboxylic acid

6-methyl-1-[(2R)-2-phenylpropanoyl]piperidine-3-carboxylic acid (PubChem CID 122112962) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 6-methyl-1-[(2R)-2-phenylpropanoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-1-[(2R)-2-phenylpropanoyl]piperidine-3-carboxylic acid
PubChem CID122112962
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name6-methyl-1-[(2R)-2-phenylpropanoyl]piperidine-3-carboxylic acid
SMILESCC1CCC(C(=O)O)CN1C(=O)[C@H](C)c1ccccc1
InChIInChI=1S/C16H21NO3/c1-11-8-9-14(16(19)20)10-17(11)15(18)12(2)13-6-4-3-5-7-13/h3-7,11-12,14H,8-10H2,1-2H3,(H,19,20)/t11?,12-,14?/m1/s1
InChIKeyFNYSKGVOKCEBEJ-MBHSVXNSSA-N
XLogP2.50
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-1-(2-pyridin-3-ylpropanoyl)piperidine-3-carboxylic acid
CID 122113209
1-[2-(2,6-difluorophenyl)propanoyl]-6-methylpiperidine-3-carboxylic acid
CID 122112934
6-methyl-1-(2-methyl-5-phenylpentanoyl)piperidine-3-carboxylic acid
CID 122112872
(3R,6R)-1-[(2S,3S)-3-amino-2-methyl-3-phenylpropanoyl]-6-methylpiperidine-3-carboxamide
CID 124598327
(3R,6S)-1-[(2S,3S)-3-amino-2-methyl-3-phenylpropanoyl]-6-methylpiperidine-3-carboxamide
CID 124598329
(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidine-2-carboxylic acid
CID 10060528
(3R,6S)-6-methyl-1-(2-phenylacetyl)piperidine-3-carboxylic acid
CID 169210694
1-(3-ethyl-2-methylpentanoyl)-6-methylpiperidine-3-carboxylic acid
CID 122112693
cis-(1S,3R)-3-[[(2S)-2-phenylpropanoyl]amino]cyclopentane-1-carboxylic acid
CID 120690493
5-methyl-1-[(2S)-2-phenylpropanoyl]piperidine-3-carboxylic acid
CID 122117477
1-(4-amino-2-methylpiperidin-1-yl)-2-phenylpropan-1-one
CID 114028861
1-[2-(furan-2-carbonylamino)propanoyl]-6-methylpiperidine-3-carboxylic acid
CID 122083894

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-[(2R)-2-phenylpropanoyl]piperidine-3-carboxylic acid?
The IUPAC name of 6-methyl-1-[(2R)-2-phenylpropanoyl]piperidine-3-carboxylic acid (CID 122112962) is 6-methyl-1-[(2R)-2-phenylpropanoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-1-[(2R)-2-phenylpropanoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 6-methyl-1-[(2R)-2-phenylpropanoyl]piperidine-3-carboxylic acid is CC1CCC(C(=O)O)CN1C(=O)[C@H](C)c1ccccc1.
What is the InChIKey of 6-methyl-1-[(2R)-2-phenylpropanoyl]piperidine-3-carboxylic acid?
The InChIKey is FNYSKGVOKCEBEJ-MBHSVXNSSA-N. The full InChI is InChI=1S/C16H21NO3/c1-11-8-9-14(16(19)20)10-17(11)15(18)12(2)13-6-4-3-5-7-13/h3-7,11-12,14H,8-10H2,1-2H3,(H,19,20)/t11?,12-,14?/m1/s1.
What are the key properties of 6-methyl-1-[(2R)-2-phenylpropanoyl]piperidine-3-carboxylic acid?
6-methyl-1-[(2R)-2-phenylpropanoyl]piperidine-3-carboxylic acid has a molecular weight of 275.35 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-[(2R)-2-phenylpropanoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122112962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).