(3S,4S)-3,4-dihydroxy-N-[3-(3-methylphenyl)phenyl]piperidine-1-carboxamide

C19H22N2O3 — CID 118767375

IUPAC(3S,4S)-3,4-dihydroxy-N-[3-(3-methylphenyl)phenyl]piperidine-1-carboxamide
SMILESCc1cccc(-c2cccc(NC(=O)N3CC[C@H](O)[C@@H](O)C3)c2)c1
InChIInChI=1S/C19H22N2O3/c1-13-4-2-5-14(10-13)15-6-3-7-16(11-15)20-19(24)21-9-8-17(22)18(23)12-21/h2-7,10-11,17-18,22-23H,8-9,12H2,1H3,(H,20,24)/t17-,18-/m0/s1
InChIKeyMIBHUNLOMDRIIR-ROUUACIJSA-N
MW326.40 g/mol
LogP2.62
Rot. Bonds2

About (3S,4S)-3,4-dihydroxy-N-[3-(3-methylphenyl)phenyl]piperidine-1-carboxamide

(3S,4S)-3,4-dihydroxy-N-[3-(3-methylphenyl)phenyl]piperidine-1-carboxamide (PubChem CID 118767375) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is (3S,4S)-3,4-dihydroxy-N-[3-(3-methylphenyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S,4S)-3,4-dihydroxy-N-[3-(3-methylphenyl)phenyl]piperidine-1-carboxamide
PubChem CID118767375
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name(3S,4S)-3,4-dihydroxy-N-[3-(3-methylphenyl)phenyl]piperidine-1-carboxamide
SMILESCc1cccc(-c2cccc(NC(=O)N3CC[C@H](O)[C@@H](O)C3)c2)c1
InChIInChI=1S/C19H22N2O3/c1-13-4-2-5-14(10-13)15-6-3-7-16(11-15)20-19(24)21-9-8-17(22)18(23)12-21/h2-7,10-11,17-18,22-23H,8-9,12H2,1H3,(H,20,24)/t17-,18-/m0/s1
InChIKeyMIBHUNLOMDRIIR-ROUUACIJSA-N
XLogP2.62
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4R)-3,4-dihydroxy-N-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 79411041
1-N,4-N-bis(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 3222755
1-[(3-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 16772166
1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 16645831
4-N-methyl-1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 84531623
(3R)-3-hydroxy-N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]pyrrolidine-1-carboxamide
CID 111754825
(3R)-3-N-ethyl-1-N-[4-(3-methylphenyl)phenyl]pyrrolidine-1,3-dicarboxamide
CID 125178178
4-(1-aminoethyl)-N-(3-methylphenyl)piperidine-1-carboxamide
CID 63596208
(3S,4S)-N-[3-(4-chlorophenyl)phenyl]-4-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carboxamide
CID 74238020
4-(methanesulfonamido)-N-(3-methylphenyl)piperidine-1-carboxamide
CID 41430122
(3R)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 51458679
3-N-(3-acetamidophenyl)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55817615

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3,4-dihydroxy-N-[3-(3-methylphenyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of (3S,4S)-3,4-dihydroxy-N-[3-(3-methylphenyl)phenyl]piperidine-1-carboxamide (CID 118767375) is (3S,4S)-3,4-dihydroxy-N-[3-(3-methylphenyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for (3S,4S)-3,4-dihydroxy-N-[3-(3-methylphenyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for (3S,4S)-3,4-dihydroxy-N-[3-(3-methylphenyl)phenyl]piperidine-1-carboxamide is Cc1cccc(-c2cccc(NC(=O)N3CC[C@H](O)[C@@H](O)C3)c2)c1.
What is the InChIKey of (3S,4S)-3,4-dihydroxy-N-[3-(3-methylphenyl)phenyl]piperidine-1-carboxamide?
The InChIKey is MIBHUNLOMDRIIR-ROUUACIJSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-13-4-2-5-14(10-13)15-6-3-7-16(11-15)20-19(24)21-9-8-17(22)18(23)12-21/h2-7,10-11,17-18,22-23H,8-9,12H2,1H3,(H,20,24)/t17-,18-/m0/s1.
What are the key properties of (3S,4S)-3,4-dihydroxy-N-[3-(3-methylphenyl)phenyl]piperidine-1-carboxamide?
(3S,4S)-3,4-dihydroxy-N-[3-(3-methylphenyl)phenyl]piperidine-1-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.62, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3,4-dihydroxy-N-[3-(3-methylphenyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 118767375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).