(2R,3R)-N-[4-[[(2S,3S)-2,3-dimethylpiperidine-1-carbonyl]amino]phenyl]-2,3-dimethylpiperidine-1-carboxamide

C22H34N4O2 — CID 11897842

IUPAC(2R,3R)-N-[4-[[(2S,3S)-2,3-dimethylpiperidine-1-carbonyl]amino]phenyl]-2,3-dimethylpiperidine-1-carboxamide
SMILESC[C@@H]1CCCN(C(=O)Nc2ccc(NC(=O)N3CCC[C@H](C)[C@@H]3C)cc2)[C@@H]1C
InChIInChI=1S/C22H34N4O2/c1-15-7-5-13-25(17(15)3)21(27)23-19-9-11-20(12-10-19)24-22(28)26-14-6-8-16(2)18(26)4/h9-12,15-18H,5-8,13-14H2,1-4H3,(H,23,27)(H,24,28)/t15-,16+,17-,18+
InChIKeyDVMVMYMDLLKZEC-USTZCAOPSA-N
MW386.54 g/mol
LogP4.99
Rot. Bonds2

About (2R,3R)-N-[4-[[(2S,3S)-2,3-dimethylpiperidine-1-carbonyl]amino]phenyl]-2,3-dimethylpiperidine-1-carboxamide

(2R,3R)-N-[4-[[(2S,3S)-2,3-dimethylpiperidine-1-carbonyl]amino]phenyl]-2,3-dimethylpiperidine-1-carboxamide (PubChem CID 11897842) has the molecular formula C22H34N4O2 and a molecular weight of 386.54 g/mol. Its IUPAC name is (2R,3R)-N-[4-[[(2S,3S)-2,3-dimethylpiperidine-1-carbonyl]amino]phenyl]-2,3-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(2R,3R)-N-[4-[[(2S,3S)-2,3-dimethylpiperidine-1-carbonyl]amino]phenyl]-2,3-dimethylpiperidine-1-carboxamide
PubChem CID11897842
Molecular FormulaC22H34N4O2
Molecular Weight386.54 g/mol
Exact Mass386.27
IUPAC Name(2R,3R)-N-[4-[[(2S,3S)-2,3-dimethylpiperidine-1-carbonyl]amino]phenyl]-2,3-dimethylpiperidine-1-carboxamide
SMILESC[C@@H]1CCCN(C(=O)Nc2ccc(NC(=O)N3CCC[C@H](C)[C@@H]3C)cc2)[C@@H]1C
InChIInChI=1S/C22H34N4O2/c1-15-7-5-13-25(17(15)3)21(27)23-19-9-11-20(12-10-19)24-22(28)26-14-6-8-16(2)18(26)4/h9-12,15-18H,5-8,13-14H2,1-4H3,(H,23,27)(H,24,28)/t15-,16+,17-,18+
InChIKeyDVMVMYMDLLKZEC-USTZCAOPSA-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,3R)-N-[4-[[(2S,3S)-2,3-dimethylpiperidine-1-carbonyl]amino]phenyl]-2,3-dimethylpiperidine-1-carboxamide with MolForge

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Related Compounds

(2R,3R)-N-[4-[[(2R,3S)-2,3-dimethylpiperidine-1-carbonyl]amino]phenyl]-2,3-dimethylpiperidine-1-carboxamide
CID 7329733
(2R,3S)-N-[3-[[(2S,3R)-2,3-dimethylpiperidine-1-carbonyl]amino]phenyl]-2,3-dimethylpiperidine-1-carboxamide
CID 7223934
2-chloro-5-[(2,3-dimethylpiperidine-1-carbonyl)amino]benzoic acid
CID 62123451
(2S,3R)-N-[4-(methanesulfonamidomethyl)phenyl]-2,3-dimethylpiperidine-1-carboxamide
CID 129397971
N-(3-acetylphenyl)-2,3-dimethylpiperidine-1-carboxamide
CID 62124695
(2S,3R)-N-[4-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]phenyl]-2,3-dimethylpiperidine-1-carboxamide
CID 124829021
1-[(4-bromophenyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071248
(2R)-N-(4-fluorophenyl)-2-methylpyrrolidine-1-carboxamide
CID 90883663
4-[(2,3-dimethylpiperidine-1-carbonyl)amino]-3-methylbenzoic acid
CID 62122751
1-[(4-cyanophenyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107070005
4-chloro-2-[(2,3-dimethylpiperidine-1-carbonyl)amino]benzoic acid
CID 62123101
2-[(2,3-dimethylpiperidine-1-carbonyl)amino]-3-fluorobenzoic acid
CID 81498187

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-[4-[[(2S,3S)-2,3-dimethylpiperidine-1-carbonyl]amino]phenyl]-2,3-dimethylpiperidine-1-carboxamide?
The IUPAC name of (2R,3R)-N-[4-[[(2S,3S)-2,3-dimethylpiperidine-1-carbonyl]amino]phenyl]-2,3-dimethylpiperidine-1-carboxamide (CID 11897842) is (2R,3R)-N-[4-[[(2S,3S)-2,3-dimethylpiperidine-1-carbonyl]amino]phenyl]-2,3-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for (2R,3R)-N-[4-[[(2S,3S)-2,3-dimethylpiperidine-1-carbonyl]amino]phenyl]-2,3-dimethylpiperidine-1-carboxamide?
The canonical SMILES for (2R,3R)-N-[4-[[(2S,3S)-2,3-dimethylpiperidine-1-carbonyl]amino]phenyl]-2,3-dimethylpiperidine-1-carboxamide is C[C@@H]1CCCN(C(=O)Nc2ccc(NC(=O)N3CCC[C@H](C)[C@@H]3C)cc2)[C@@H]1C.
What is the InChIKey of (2R,3R)-N-[4-[[(2S,3S)-2,3-dimethylpiperidine-1-carbonyl]amino]phenyl]-2,3-dimethylpiperidine-1-carboxamide?
The InChIKey is DVMVMYMDLLKZEC-USTZCAOPSA-N. The full InChI is InChI=1S/C22H34N4O2/c1-15-7-5-13-25(17(15)3)21(27)23-19-9-11-20(12-10-19)24-22(28)26-14-6-8-16(2)18(26)4/h9-12,15-18H,5-8,13-14H2,1-4H3,(H,23,27)(H,24,28)/t15-,16+,17-,18+.
What are the key properties of (2R,3R)-N-[4-[[(2S,3S)-2,3-dimethylpiperidine-1-carbonyl]amino]phenyl]-2,3-dimethylpiperidine-1-carboxamide?
(2R,3R)-N-[4-[[(2S,3S)-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,3R)-N-[4-[[(2S,3S)-2,3-dimethylpiperidine-1-carbonyl]amino]phenyl]-2,3-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 11897842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).