(2R,3S)-N-[3-[[(2S,3R)-2,3-dimethylpiperidine-1-carbonyl]amino]phenyl]-2,3-dimethylpiperidine-1-carboxamide

C22H34N4O2 — CID 7223934

IUPAC(2R,3S)-N-[3-[[(2S,3R)-2,3-dimethylpiperidine-1-carbonyl]amino]phenyl]-2,3-dimethylpiperidine-1-carboxamide
SMILESC[C@@H]1CCCN(C(=O)Nc2cccc(NC(=O)N3CCC[C@H](C)[C@H]3C)c2)[C@H]1C
InChIInChI=1S/C22H34N4O2/c1-15-8-6-12-25(17(15)3)21(27)23-19-10-5-11-20(14-19)24-22(28)26-13-7-9-16(2)18(26)4/h5,10-11,14-18H,6-9,12-13H2,1-4H3,(H,23,27)(H,24,28)/t15-,16+,17+,18-
InChIKeySMTHNRGBDWWTEJ-FZDBZEDMSA-N
MW386.54 g/mol
LogP4.99
Rot. Bonds2

About (2R,3S)-N-[3-[[(2S,3R)-2,3-dimethylpiperidine-1-carbonyl]amino]phenyl]-2,3-dimethylpiperidine-1-carboxamide

(2R,3S)-N-[3-[[(2S,3R)-2,3-dimethylpiperidine-1-carbonyl]amino]phenyl]-2,3-dimethylpiperidine-1-carboxamide (PubChem CID 7223934) has the molecular formula C22H34N4O2 and a molecular weight of 386.54 g/mol. Its IUPAC name is (2R,3S)-N-[3-[[(2S,3R)-2,3-dimethylpiperidine-1-carbonyl]amino]phenyl]-2,3-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-[3-[[(2S,3R)-2,3-dimethylpiperidine-1-carbonyl]amino]phenyl]-2,3-dimethylpiperidine-1-carboxamide
PubChem CID7223934
Molecular FormulaC22H34N4O2
Molecular Weight386.54 g/mol
Exact Mass386.27
IUPAC Name(2R,3S)-N-[3-[[(2S,3R)-2,3-dimethylpiperidine-1-carbonyl]amino]phenyl]-2,3-dimethylpiperidine-1-carboxamide
SMILESC[C@@H]1CCCN(C(=O)Nc2cccc(NC(=O)N3CCC[C@H](C)[C@H]3C)c2)[C@H]1C
InChIInChI=1S/C22H34N4O2/c1-15-8-6-12-25(17(15)3)21(27)23-19-10-5-11-20(14-19)24-22(28)26-13-7-9-16(2)18(26)4/h5,10-11,14-18H,6-9,12-13H2,1-4H3,(H,23,27)(H,24,28)/t15-,16+,17+,18-
InChIKeySMTHNRGBDWWTEJ-FZDBZEDMSA-N
XLogP4.99
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R,3S)-N-[3-[[(2S,3R)-2,3-dimethylpiperidine-1-carbonyl]amino]phenyl]-2,3-dimethylpiperidine-1-carboxamide with MolForge

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Related Compounds

N-(3-acetylphenyl)-2,3-dimethylpiperidine-1-carboxamide
CID 62124695
(2R,3R)-N-[4-[[(2R,3S)-2,3-dimethylpiperidine-1-carbonyl]amino]phenyl]-2,3-dimethylpiperidine-1-carboxamide
CID 7329733
(2R,3R)-N-[4-[[(2S,3S)-2,3-dimethylpiperidine-1-carbonyl]amino]phenyl]-2,3-dimethylpiperidine-1-carboxamide
CID 11897842
2-chloro-5-[(2,3-dimethylpiperidine-1-carbonyl)amino]benzoic acid
CID 62123451
2-[(2,3-dimethylpiperidine-1-carbonyl)amino]-3-fluorobenzoic acid
CID 81498187
(2R)-2-ethyl-N-[3-[[(2R)-2-ethylpiperidine-1-carbonyl]amino]phenyl]piperidine-1-carboxamide
CID 7190614
(2S,3S)-2-(hydroxymethyl)-3-methyl-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 97083086
4-[(2,3-dimethylpiperidine-1-carbonyl)amino]-3-methylbenzoic acid
CID 62122751
(2S,3R)-N-[4-(methanesulfonamidomethyl)phenyl]-2,3-dimethylpiperidine-1-carboxamide
CID 129397971
4-chloro-2-[(2,3-dimethylpiperidine-1-carbonyl)amino]benzoic acid
CID 62123101
(2R)-2-N-(3-acetamidophenyl)-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 1442935
1-[(3-fluorophenyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79363795

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[3-[[(2S,3R)-2,3-dimethylpiperidine-1-carbonyl]amino]phenyl]-2,3-dimethylpiperidine-1-carboxamide?
The IUPAC name of (2R,3S)-N-[3-[[(2S,3R)-2,3-dimethylpiperidine-1-carbonyl]amino]phenyl]-2,3-dimethylpiperidine-1-carboxamide (CID 7223934) is (2R,3S)-N-[3-[[(2S,3R)-2,3-dimethylpiperidine-1-carbonyl]amino]phenyl]-2,3-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for (2R,3S)-N-[3-[[(2S,3R)-2,3-dimethylpiperidine-1-carbonyl]amino]phenyl]-2,3-dimethylpiperidine-1-carboxamide?
The canonical SMILES for (2R,3S)-N-[3-[[(2S,3R)-2,3-dimethylpiperidine-1-carbonyl]amino]phenyl]-2,3-dimethylpiperidine-1-carboxamide is C[C@@H]1CCCN(C(=O)Nc2cccc(NC(=O)N3CCC[C@H](C)[C@H]3C)c2)[C@H]1C.
What is the InChIKey of (2R,3S)-N-[3-[[(2S,3R)-2,3-dimethylpiperidine-1-carbonyl]amino]phenyl]-2,3-dimethylpiperidine-1-carboxamide?
The InChIKey is SMTHNRGBDWWTEJ-FZDBZEDMSA-N. The full InChI is InChI=1S/C22H34N4O2/c1-15-8-6-12-25(17(15)3)21(27)23-19-10-5-11-20(14-19)24-22(28)26-13-7-9-16(2)18(26)4/h5,10-11,14-18H,6-9,12-13H2,1-4H3,(H,23,27)(H,24,28)/t15-,16+,17+,18-.
What are the key properties of (2R,3S)-N-[3-[[(2S,3R)-2,3-dimethylpiperidine-1-carbonyl]amino]phenyl]-2,3-dimethylpiperidine-1-carboxamide?
(2R,3S)-N-[3-[[(2S,3R)-2,3-dimethylpiperidine-1-carbonyl]amino]phenyl]-2,3-dimethylpiperidine-1-carboxamide has a molecular weight of 386.54 g/mol, XLogP of 4.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[3-[[(2S,3R)-2,3-dimethylpiperidine-1-carbonyl]amino]phenyl]-2,3-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 7223934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).