(3R)-3-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-N-phenylpiperidine-1,3-dicarboxamide

C26H33N5O3 — CID 32829511

IUPAC(3R)-3-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-N-phenylpiperidine-1,3-dicarboxamide
SMILESO=C(CN1CCC(NC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)CC1)Nc1ccccc1
InChIInChI=1S/C26H33N5O3/c32-24(27-21-9-3-1-4-10-21)19-30-16-13-23(14-17-30)28-25(33)20-8-7-15-31(18-20)26(34)29-22-11-5-2-6-12-22/h1-6,9-12,20,23H,7-8,13-19H2,(H,27,32)(H,28,33)(H,29,34)/t20-/m1/s1
InChIKeyFRSFUKNTNWUEJN-HXUWFJFHSA-N
MW463.58 g/mol
LogP3.15
Rot. Bonds6

About (3R)-3-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-N-phenylpiperidine-1,3-dicarboxamide

(3R)-3-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-N-phenylpiperidine-1,3-dicarboxamide (PubChem CID 32829511) has the molecular formula C26H33N5O3 and a molecular weight of 463.58 g/mol. Its IUPAC name is (3R)-3-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-N-phenylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3R)-3-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-N-phenylpiperidine-1,3-dicarboxamide
PubChem CID32829511
Molecular FormulaC26H33N5O3
Molecular Weight463.58 g/mol
Exact Mass463.26
IUPAC Name(3R)-3-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-N-phenylpiperidine-1,3-dicarboxamide
SMILESO=C(CN1CCC(NC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)CC1)Nc1ccccc1
InChIInChI=1S/C26H33N5O3/c32-24(27-21-9-3-1-4-10-21)19-30-16-13-23(14-17-30)28-25(33)20-8-7-15-31(18-20)26(34)29-22-11-5-2-6-12-22/h1-6,9-12,20,23H,7-8,13-19H2,(H,27,32)(H,28,33)(H,29,34)/t20-/m1/s1
InChIKeyFRSFUKNTNWUEJN-HXUWFJFHSA-N
XLogP3.15
TPSA93.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (3R)-3-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-N-phenylpiperidine-1,3-dicarboxamide with MolForge

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Related Compounds

N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]cyclohexanecarboxamide
CID 3220728
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]cyclobutanecarboxamide
CID 16589812
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 16613398
3-N-(1-cyclopropylpiperidin-4-yl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 55561482
(3S)-3-N-cyclopentyl-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
CID 95116250
3-N-(2-anilino-2-oxoethyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 55991364
1-(2-anilino-2-oxoethyl)-N-phenylpiperidine-3-carboxamide
CID 17496230
N-cyclopropyl-1-[1-(phenylcarbamoyl)piperidin-4-yl]piperidine-3-carboxamide
CID 45220733
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 16613527
N-[1-[2-(4-fluoroanilino)-2-oxoethyl]piperidin-4-yl]cyclobutanecarboxamide
CID 165434114
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 3220730
(3S)-3-N-(4-methylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9071786

Frequently Asked Questions

What is the IUPAC name of (3R)-3-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-N-phenylpiperidine-1,3-dicarboxamide?
The IUPAC name of (3R)-3-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-N-phenylpiperidine-1,3-dicarboxamide (CID 32829511) is (3R)-3-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-N-phenylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for (3R)-3-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-N-phenylpiperidine-1,3-dicarboxamide?
The canonical SMILES for (3R)-3-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-N-phenylpiperidine-1,3-dicarboxamide is O=C(CN1CCC(NC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)CC1)Nc1ccccc1.
What is the InChIKey of (3R)-3-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-N-phenylpiperidine-1,3-dicarboxamide?
The InChIKey is FRSFUKNTNWUEJN-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H33N5O3/c32-24(27-21-9-3-1-4-10-21)19-30-16-13-23(14-17-30)28-25(33)20-8-7-15-31(18-20)26(34)29-22-11-5-2-6-12-22/h1-6,9-12,20,23H,7-8,13-19H2,(H,27,32)(H,28,33)(H,29,34)/t20-/m1/s1.
What are the key properties of (3R)-3-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-N-phenylpiperidine-1,3-dicarboxamide?
(3R)-3-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-N-phenylpiperidine-1,3-dicarboxamide has a molecular weight of 463.58 g/mol, XLogP of 3.15, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-N-phenylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 32829511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).