(2R)-2-ethyl-N-[3-[[(2R)-2-ethylpiperidine-1-carbonyl]amino]phenyl]piperidine-1-carboxamide

C22H34N4O2 — CID 7190614

IUPAC(2R)-2-ethyl-N-[3-[[(2R)-2-ethylpiperidine-1-carbonyl]amino]phenyl]piperidine-1-carboxamide
SMILESCC[C@@H]1CCCCN1C(=O)Nc1cccc(NC(=O)N2CCCC[C@H]2CC)c1
InChIInChI=1S/C22H34N4O2/c1-3-19-12-5-7-14-25(19)21(27)23-17-10-9-11-18(16-17)24-22(28)26-15-8-6-13-20(26)4-2/h9-11,16,19-20H,3-8,12-15H2,1-2H3,(H,23,27)(H,24,28)/t19-,20-/m1/s1
InChIKeyZTIVJQZPGREOEC-WOJBJXKFSA-N
MW386.54 g/mol
LogP5.28
Rot. Bonds4

About (2R)-2-ethyl-N-[3-[[(2R)-2-ethylpiperidine-1-carbonyl]amino]phenyl]piperidine-1-carboxamide

(2R)-2-ethyl-N-[3-[[(2R)-2-ethylpiperidine-1-carbonyl]amino]phenyl]piperidine-1-carboxamide (PubChem CID 7190614) has the molecular formula C22H34N4O2 and a molecular weight of 386.54 g/mol. Its IUPAC name is (2R)-2-ethyl-N-[3-[[(2R)-2-ethylpiperidine-1-carbonyl]amino]phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-ethyl-N-[3-[[(2R)-2-ethylpiperidine-1-carbonyl]amino]phenyl]piperidine-1-carboxamide
PubChem CID7190614
Molecular FormulaC22H34N4O2
Molecular Weight386.54 g/mol
Exact Mass386.27
IUPAC Name(2R)-2-ethyl-N-[3-[[(2R)-2-ethylpiperidine-1-carbonyl]amino]phenyl]piperidine-1-carboxamide
SMILESCC[C@@H]1CCCCN1C(=O)Nc1cccc(NC(=O)N2CCCC[C@H]2CC)c1
InChIInChI=1S/C22H34N4O2/c1-3-19-12-5-7-14-25(19)21(27)23-17-10-9-11-18(16-17)24-22(28)26-15-8-6-13-20(26)4-2/h9-11,16,19-20H,3-8,12-15H2,1-2H3,(H,23,27)(H,24,28)/t19-,20-/m1/s1
InChIKeyZTIVJQZPGREOEC-WOJBJXKFSA-N
XLogP5.28
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.54
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-ethyl-N-phenylpiperidine-1-carboxamide
CID 728630
N-(3-acetylphenyl)-2-ethylpyrrolidine-1-carboxamide
CID 61345256
(2S)-N-(3-acetamidophenyl)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide
CID 125155789
N-(3-acetamidophenyl)-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide
CID 108952246
N-(2,6-dichlorophenyl)-2-ethylpiperidine-1-carboxamide
CID 108990919
N-(4-chlorophenyl)-2-ethylpiperidine-1-carboxamide
CID 3111956
(2S)-2-(aminomethyl)-N-[3-(butanoylamino)phenyl]piperidine-1-carboxamide
CID 125164189
N-[4-(aminomethyl)phenyl]-2-ethylazepane-1-carboxamide
CID 104690862
N-(3-acetylphenyl)-2-propylpiperidine-1-carboxamide
CID 83046098
N-(2,6-difluorophenyl)-2-ethylpiperidine-1-carboxamide
CID 108990928
2-ethyl-N-[3-[1-(ethylamino)ethyl]phenyl]pyrrolidine-1-carboxamide
CID 61340887
N-(3-acetylphenyl)-2-(hydroxymethyl)piperidine-1-carboxamide
CID 61346659

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethyl-N-[3-[[(2R)-2-ethylpiperidine-1-carbonyl]amino]phenyl]piperidine-1-carboxamide?
The IUPAC name of (2R)-2-ethyl-N-[3-[[(2R)-2-ethylpiperidine-1-carbonyl]amino]phenyl]piperidine-1-carboxamide (CID 7190614) is (2R)-2-ethyl-N-[3-[[(2R)-2-ethylpiperidine-1-carbonyl]amino]phenyl]piperidine-1-carboxamide.
What is the SMILES notation for (2R)-2-ethyl-N-[3-[[(2R)-2-ethylpiperidine-1-carbonyl]amino]phenyl]piperidine-1-carboxamide?
The canonical SMILES for (2R)-2-ethyl-N-[3-[[(2R)-2-ethylpiperidine-1-carbonyl]amino]phenyl]piperidine-1-carboxamide is CC[C@@H]1CCCCN1C(=O)Nc1cccc(NC(=O)N2CCCC[C@H]2CC)c1.
What is the InChIKey of (2R)-2-ethyl-N-[3-[[(2R)-2-ethylpiperidine-1-carbonyl]amino]phenyl]piperidine-1-carboxamide?
The InChIKey is ZTIVJQZPGREOEC-WOJBJXKFSA-N. The full InChI is InChI=1S/C22H34N4O2/c1-3-19-12-5-7-14-25(19)21(27)23-17-10-9-11-18(16-17)24-22(28)26-15-8-6-13-20(26)4-2/h9-11,16,19-20H,3-8,12-15H2,1-2H3,(H,23,27)(H,24,28)/t19-,20-/m1/s1.
What are the key properties of (2R)-2-ethyl-N-[3-[[(2R)-2-ethylpiperidine-1-carbonyl]amino]phenyl]piperidine-1-carboxamide?
(2R)-2-ethyl-N-[3-[[(2R)-2-ethylpiperidine-1-carbonyl]amino]phenyl]piperidine-1-carboxamide has a molecular weight of 386.54 g/mol, XLogP of 5.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethyl-N-[3-[[(2R)-2-ethylpiperidine-1-carbonyl]amino]phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 7190614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).