(2R,3R)-1-(diphenylcarbamoyl)-2-methylpiperidine-3-carboxylic acid

C20H22N2O3 — CID 122105021

IUPAC(2R,3R)-1-(diphenylcarbamoyl)-2-methylpiperidine-3-carboxylic acid
SMILESC[C@@H]1[C@H](C(=O)O)CCCN1C(=O)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H22N2O3/c1-15-18(19(23)24)13-8-14-21(15)20(25)22(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-7,9-12,15,18H,8,13-14H2,1H3,(H,23,24)/t15-,18-/m1/s1
InChIKeyABCNWUKSGVPJEV-CRAIPNDOSA-N
MW338.41 g/mol
LogP4.13
Rot. Bonds3

About (2R,3R)-1-(diphenylcarbamoyl)-2-methylpiperidine-3-carboxylic acid

(2R,3R)-1-(diphenylcarbamoyl)-2-methylpiperidine-3-carboxylic acid (PubChem CID 122105021) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is (2R,3R)-1-(diphenylcarbamoyl)-2-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name(2R,3R)-1-(diphenylcarbamoyl)-2-methylpiperidine-3-carboxylic acid
PubChem CID122105021
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name(2R,3R)-1-(diphenylcarbamoyl)-2-methylpiperidine-3-carboxylic acid
SMILESC[C@@H]1[C@H](C(=O)O)CCCN1C(=O)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H22N2O3/c1-15-18(19(23)24)13-8-14-21(15)20(25)22(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-7,9-12,15,18H,8,13-14H2,1H3,(H,23,24)/t15-,18-/m1/s1
InChIKeyABCNWUKSGVPJEV-CRAIPNDOSA-N
XLogP4.13
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3R)-1-(2-hydroxybenzoyl)-2-methylpiperidine-3-carboxylic acid
CID 122116461
2,5-dimethyl-1-N,1-N,4-N,4-N-tetraphenylpiperazine-1,4-dicarboxamide
CID 18965184
(2S,3S)-2-methyl-1-[methyl(propan-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122104890
(2R,3R)-1-[2-(4-benzylpiperazin-1-yl)acetyl]-2-methylpiperidine-3-carboxylic acid
CID 122116171
4-methyl-N,N-diphenylpiperidine-1-carboxamide
CID 71122865
1-[methyl(phenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61186495
1-carbamoyl-2-methylpiperidine-3-carboxylic acid
CID 130961604
(2R,3R)-2-methyl-1-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]piperidine-3-carboxylic acid
CID 122115203
1-[(3-hydroxyphenyl)-methylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 107737165
(2R,3R)-2-methyl-1-(3-phenylsulfanylpropanoyl)piperidine-3-carboxylic acid
CID 122114673
(2S,3S)-2-methyl-1-[2-[2-(trifluoromethyl)phenoxy]propanoyl]piperidine-3-carboxylic acid
CID 122115787
(2R,3R)-2-methyl-1-[2-[N-(pyridin-3-ylmethyl)anilino]acetyl]piperidine-3-carboxylic acid
CID 122116407

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1-(diphenylcarbamoyl)-2-methylpiperidine-3-carboxylic acid?
The IUPAC name of (2R,3R)-1-(diphenylcarbamoyl)-2-methylpiperidine-3-carboxylic acid (CID 122105021) is (2R,3R)-1-(diphenylcarbamoyl)-2-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for (2R,3R)-1-(diphenylcarbamoyl)-2-methylpiperidine-3-carboxylic acid?
The canonical SMILES for (2R,3R)-1-(diphenylcarbamoyl)-2-methylpiperidine-3-carboxylic acid is C[C@@H]1[C@H](C(=O)O)CCCN1C(=O)N(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R,3R)-1-(diphenylcarbamoyl)-2-methylpiperidine-3-carboxylic acid?
The InChIKey is ABCNWUKSGVPJEV-CRAIPNDOSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-15-18(19(23)24)13-8-14-21(15)20(25)22(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-7,9-12,15,18H,8,13-14H2,1H3,(H,23,24)/t15-,18-/m1/s1.
What are the key properties of (2R,3R)-1-(diphenylcarbamoyl)-2-methylpiperidine-3-carboxylic acid?
(2R,3R)-1-(diphenylcarbamoyl)-2-methylpiperidine-3-carboxylic acid has a molecular weight of 338.41 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1-(diphenylcarbamoyl)-2-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122105021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).