(3R)-1-methyl-N-[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]piperidine-3-carboxamide

C22H27N3O2 — CID 99970141

IUPAC(3R)-1-methyl-N-[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]piperidine-3-carboxamide
SMILESC[C@@H](NC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(C)C1)c1ccccc1
InChIInChI=1S/C22H27N3O2/c1-16(17-9-4-3-5-10-17)23-22(27)19-12-6-7-13-20(19)24-21(26)18-11-8-14-25(2)15-18/h3-7,9-10,12-13,16,18H,8,11,14-15H2,1-2H3,(H,23,27)(H,24,26)/t16-,18-/m1/s1
InChIKeyIGFLEPVWCPSTCO-SJLPKXTDSA-N
MW365.48 g/mol
LogP3.46
Rot. Bonds5

About (3R)-1-methyl-N-[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]piperidine-3-carboxamide

(3R)-1-methyl-N-[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]piperidine-3-carboxamide (PubChem CID 99970141) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is (3R)-1-methyl-N-[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-methyl-N-[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]piperidine-3-carboxamide
PubChem CID99970141
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name(3R)-1-methyl-N-[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]piperidine-3-carboxamide
SMILESC[C@@H](NC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(C)C1)c1ccccc1
InChIInChI=1S/C22H27N3O2/c1-16(17-9-4-3-5-10-17)23-22(27)19-12-6-7-13-20(19)24-21(26)18-11-8-14-25(2)15-18/h3-7,9-10,12-13,16,18H,8,11,14-15H2,1-2H3,(H,23,27)(H,24,26)/t16-,18-/m1/s1
InChIKeyIGFLEPVWCPSTCO-SJLPKXTDSA-N
XLogP3.46
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopentanecarbonylamino)-N-[(1R)-1-phenylethyl]benzamide
CID 2578672
1-ethylsulfonyl-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 132672917
1-(benzenesulfonyl)-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 133167756
(3S)-1-(dimethylsulfamoyl)-N-[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]piperidine-3-carboxamide
CID 30386842
1-[(2-chlorophenyl)methyl]-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 43923681
1-methyl-N-[2-(2-methylpropylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 132650704
1-(benzenesulfonyl)-N-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]piperidine-4-carboxamide
CID 26242729
(3R)-N-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 94027770
1-(4-chlorobenzoyl)-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 43000360
N-[2-(butylcarbamoyl)phenyl]-1-methylpiperidine-3-carboxamide
CID 132650711
(3S)-N-[2-(2-methoxyethylcarbamoyl)phenyl]-1-methylpiperidine-3-carboxamide
CID 99970188
1-(4-fluorophenyl)sulfonyl-N-[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]piperidine-4-carboxamide
CID 100651425

Frequently Asked Questions

What is the IUPAC name of (3R)-1-methyl-N-[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-methyl-N-[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]piperidine-3-carboxamide (CID 99970141) is (3R)-1-methyl-N-[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-methyl-N-[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-methyl-N-[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]piperidine-3-carboxamide is C[C@@H](NC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(C)C1)c1ccccc1.
What is the InChIKey of (3R)-1-methyl-N-[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]piperidine-3-carboxamide?
The InChIKey is IGFLEPVWCPSTCO-SJLPKXTDSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-16(17-9-4-3-5-10-17)23-22(27)19-12-6-7-13-20(19)24-21(26)18-11-8-14-25(2)15-18/h3-7,9-10,12-13,16,18H,8,11,14-15H2,1-2H3,(H,23,27)(H,24,26)/t16-,18-/m1/s1.
What are the key properties of (3R)-1-methyl-N-[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]piperidine-3-carboxamide?
(3R)-1-methyl-N-[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]piperidine-3-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-methyl-N-[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 99970141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).