N-[3-[(2R)-2-methylpiperidine-1-carbonyl]-5-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-2,2-diphenylacetamide

C34H39N3O3 — CID 27892566

IUPACN-[3-[(2R)-2-methylpiperidine-1-carbonyl]-5-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-2,2-diphenylacetamide
SMILESC[C@@H]1CCCCN1C(=O)c1cc(NC(=O)C(c2ccccc2)c2ccccc2)cc(C(=O)N2CCCC[C@@H]2C)c1
InChIInChI=1S/C34H39N3O3/c1-24-13-9-11-19-36(24)33(39)28-21-29(34(40)37-20-12-10-14-25(37)2)23-30(22-28)35-32(38)31(26-15-5-3-6-16-26)27-17-7-4-8-18-27/h3-8,15-18,21-25,31H,9-14,19-20H2,1-2H3,(H,35,38)/t24-,25+
InChIKeyRJKMJPHSVOMRFX-PLQXJYEYSA-N
MW537.70 g/mol
LogP6.49
Rot. Bonds6

About N-[3-[(2R)-2-methylpiperidine-1-carbonyl]-5-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-2,2-diphenylacetamide

N-[3-[(2R)-2-methylpiperidine-1-carbonyl]-5-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-2,2-diphenylacetamide (PubChem CID 27892566) has the molecular formula C34H39N3O3 and a molecular weight of 537.70 g/mol. Its IUPAC name is N-[3-[(2R)-2-methylpiperidine-1-carbonyl]-5-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[3-[(2R)-2-methylpiperidine-1-carbonyl]-5-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-2,2-diphenylacetamide
PubChem CID27892566
Molecular FormulaC34H39N3O3
Molecular Weight537.70 g/mol
Exact Mass537.30
IUPAC NameN-[3-[(2R)-2-methylpiperidine-1-carbonyl]-5-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-2,2-diphenylacetamide
SMILESC[C@@H]1CCCCN1C(=O)c1cc(NC(=O)C(c2ccccc2)c2ccccc2)cc(C(=O)N2CCCC[C@@H]2C)c1
InChIInChI=1S/C34H39N3O3/c1-24-13-9-11-19-36(24)33(39)28-21-29(34(40)37-20-12-10-14-25(37)2)23-30(22-28)35-32(38)31(26-15-5-3-6-16-26)27-17-7-4-8-18-27/h3-8,15-18,21-25,31H,9-14,19-20H2,1-2H3,(H,35,38)/t24-,25+
InChIKeyRJKMJPHSVOMRFX-PLQXJYEYSA-N
XLogP6.49
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.70
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-[(2R)-2-methylpiperidine-1-carbonyl]-5-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-2,2-diphenylacetamide with MolForge

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Related Compounds

2-amino-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]-2-phenylacetamide
CID 119283677
N-[3-(2-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 2937708
3,5-bis[(2,2-diphenylacetyl)amino]benzoic acid
CID 2261290
N-[4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]acetamide
CID 669487
[4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-phenylmethanone
CID 2532732
2-(diethylamino)-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-phenylacetamide
CID 56580263
5-[[3,5-bis(2-methylpiperidine-1-carbonyl)anilino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168539360
N-benzhydryl-2-methylpiperidine-1-carboxamide
CID 108867475
(3-bromophenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 40543984
2-amino-1-(2-methylpiperidin-1-yl)-2-phenylethanone
CID 24694891
[4-(methylamino)phenyl]-(2-methylpiperidin-1-yl)methanone
CID 62170939
tert-butyl N-[3-(2-methylpiperidine-1-carbonyl)phenyl]carbamate
CID 24537551

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2R)-2-methylpiperidine-1-carbonyl]-5-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-2,2-diphenylacetamide?
The IUPAC name of N-[3-[(2R)-2-methylpiperidine-1-carbonyl]-5-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-2,2-diphenylacetamide (CID 27892566) is N-[3-[(2R)-2-methylpiperidine-1-carbonyl]-5-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[3-[(2R)-2-methylpiperidine-1-carbonyl]-5-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-2,2-diphenylacetamide?
The canonical SMILES for N-[3-[(2R)-2-methylpiperidine-1-carbonyl]-5-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-2,2-diphenylacetamide is C[C@@H]1CCCCN1C(=O)c1cc(NC(=O)C(c2ccccc2)c2ccccc2)cc(C(=O)N2CCCC[C@@H]2C)c1.
What is the InChIKey of N-[3-[(2R)-2-methylpiperidine-1-carbonyl]-5-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-2,2-diphenylacetamide?
The InChIKey is RJKMJPHSVOMRFX-PLQXJYEYSA-N. The full InChI is InChI=1S/C34H39N3O3/c1-24-13-9-11-19-36(24)33(39)28-21-29(34(40)37-20-12-10-14-25(37)2)23-30(22-28)35-32(38)31(26-15-5-3-6-16-26)27-17-7-4-8-18-27/h3-8,15-18,21-25,31H,9-14,19-20H2,1-2H3,(H,35,38)/t24-,25+.
What are the key properties of N-[3-[(2R)-2-methylpiperidine-1-carbonyl]-5-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-2,2-diphenylacetamide?
N-[3-[(2R)-2-methylpiperidine-1-carbonyl]-5-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-2,2-diphenylacetamide has a molecular weight of 537.70 g/mol, XLogP of 6.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2R)-2-methylpiperidine-1-carbonyl]-5-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-2,2-diphenylacetamide is sourced from PubChem (CID 27892566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).