(3R)-N,N-dimethyl-1-[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]piperidine-3-carboxamide

C24H31N3O3 — CID 100852973

IUPAC(3R)-N,N-dimethyl-1-[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]piperidine-3-carboxamide
SMILESC[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N1CCC[C@@H](C(=O)N(C)C)C1
InChIInChI=1S/C24H31N3O3/c1-18(27-15-7-10-20(16-27)24(29)26(2)3)23(28)25-21-11-13-22(14-12-21)30-17-19-8-5-4-6-9-19/h4-6,8-9,11-14,18,20H,7,10,15-17H2,1-3H3,(H,25,28)/t18-,20+/m0/s1
InChIKeyFPJRZUDGFHBPHE-AZUAARDMSA-N
MW409.53 g/mol
LogP3.39
Rot. Bonds7

About (3R)-N,N-dimethyl-1-[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]piperidine-3-carboxamide

(3R)-N,N-dimethyl-1-[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]piperidine-3-carboxamide (PubChem CID 100852973) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is (3R)-N,N-dimethyl-1-[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N,N-dimethyl-1-[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]piperidine-3-carboxamide
PubChem CID100852973
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name(3R)-N,N-dimethyl-1-[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]piperidine-3-carboxamide
SMILESC[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N1CCC[C@@H](C(=O)N(C)C)C1
InChIInChI=1S/C24H31N3O3/c1-18(27-15-7-10-20(16-27)24(29)26(2)3)23(28)25-21-11-13-22(14-12-21)30-17-19-8-5-4-6-9-19/h4-6,8-9,11-14,18,20H,7,10,15-17H2,1-3H3,(H,25,28)/t18-,20+/m0/s1
InChIKeyFPJRZUDGFHBPHE-AZUAARDMSA-N
XLogP3.39
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-N,N-dimethyl-1-[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]piperidine-3-carboxamide with MolForge

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Related Compounds

(3S)-N,N-dimethyl-1-[(2R)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]piperidine-3-carboxamide
CID 52512705
(2R)-N-(4-phenylmethoxyphenyl)-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 27223610
(3S)-1-[(2R)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 51961419
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(4-phenylmethoxyphenyl)propanamide
CID 111332432
1-[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl]-N-phenylpiperidine-3-carboxamide
CID 46663268
(2S)-2-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-N-(4-phenylmethoxyphenyl)propanamide
CID 25352583
(2S)-N-(4-ethoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide
CID 9275461
1-benzyl-N-(4-phenylmethoxyphenyl)piperidine-3-carboxamide
CID 43922210
(3S)-1-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide
CID 51500739
cyclopentyl-dimethyl-[(2R)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]azanium
CID 8875841
(2S)-N-(4-phenylmethoxyphenyl)-2-piperidin-1-ium-1-ylpropanamide
CID 7045428
(2S)-N-(4-acetylphenyl)-2-[(4R)-4-[benzyl(methyl)amino]azepan-1-yl]propanamide
CID 100868482

Frequently Asked Questions

What is the IUPAC name of (3R)-N,N-dimethyl-1-[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N,N-dimethyl-1-[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]piperidine-3-carboxamide (CID 100852973) is (3R)-N,N-dimethyl-1-[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N,N-dimethyl-1-[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N,N-dimethyl-1-[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]piperidine-3-carboxamide is C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N1CCC[C@@H](C(=O)N(C)C)C1.
What is the InChIKey of (3R)-N,N-dimethyl-1-[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]piperidine-3-carboxamide?
The InChIKey is FPJRZUDGFHBPHE-AZUAARDMSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-18(27-15-7-10-20(16-27)24(29)26(2)3)23(28)25-21-11-13-22(14-12-21)30-17-19-8-5-4-6-9-19/h4-6,8-9,11-14,18,20H,7,10,15-17H2,1-3H3,(H,25,28)/t18-,20+/m0/s1.
What are the key properties of (3R)-N,N-dimethyl-1-[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]piperidine-3-carboxamide?
(3R)-N,N-dimethyl-1-[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]piperidine-3-carboxamide has a molecular weight of 409.53 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N,N-dimethyl-1-[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 100852973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).