(1S,2R,4S)-2-benzyl-N-[(3R)-2-oxopiperidin-3-yl]bicyclo[2.2.1]heptane-2-carboxamide

C20H26N2O2 — CID 129378328

IUPAC(1S,2R,4S)-2-benzyl-N-[(3R)-2-oxopiperidin-3-yl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C1NCCC[C@H]1NC(=O)[C@@]1(Cc2ccccc2)C[C@H]2CC[C@H]1C2
InChIInChI=1S/C20H26N2O2/c23-18-17(7-4-10-21-18)22-19(24)20(12-14-5-2-1-3-6-14)13-15-8-9-16(20)11-15/h1-3,5-6,15-17H,4,7-13H2,(H,21,23)(H,22,24)/t15-,16-,17+,20-/m0/s1
InChIKeyMZEPQDMMMQNZID-LJCCNALRSA-N
MW326.44 g/mol
LogP2.43
Rot. Bonds4

About (1S,2R,4S)-2-benzyl-N-[(3R)-2-oxopiperidin-3-yl]bicyclo[2.2.1]heptane-2-carboxamide

(1S,2R,4S)-2-benzyl-N-[(3R)-2-oxopiperidin-3-yl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 129378328) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is (1S,2R,4S)-2-benzyl-N-[(3R)-2-oxopiperidin-3-yl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name(1S,2R,4S)-2-benzyl-N-[(3R)-2-oxopiperidin-3-yl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID129378328
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name(1S,2R,4S)-2-benzyl-N-[(3R)-2-oxopiperidin-3-yl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C1NCCC[C@H]1NC(=O)[C@@]1(Cc2ccccc2)C[C@H]2CC[C@H]1C2
InChIInChI=1S/C20H26N2O2/c23-18-17(7-4-10-21-18)22-19(24)20(12-14-5-2-1-3-6-14)13-15-8-9-16(20)11-15/h1-3,5-6,15-17H,4,7-13H2,(H,21,23)(H,22,24)/t15-,16-,17+,20-/m0/s1
InChIKeyMZEPQDMMMQNZID-LJCCNALRSA-N
XLogP2.43
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2R,4S)-2-benzylbicyclo[2.2.1]heptane-2-carboxylic acid
CID 98220074
(1S,2S,4S)-N-(2-amino-2-oxoethyl)-2-benzylbicyclo[2.2.1]heptane-2-carboxamide
CID 98773407
(1S,2R,4S)-2-benzyl-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 98791951
(1S,2S,4S)-2-benzyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 98775630
(1S,2S,4S)-2-benzyl-N-[(4-hydroxyoxan-4-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 129378345
1-benzyl-1-methyl-3-(2-oxoazepan-3-yl)urea
CID 47248762
(2S)-2-amino-N-(2-oxopiperidin-3-yl)-3-phenylpropanamide
CID 78986436
(1S,2S,4S)-2-[(4-chlorophenyl)methyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 98208525
N-[(3R)-2-oxoazepan-3-yl]-3-phenylpropanamide
CID 92861083
1-(4-amino-5-fluoropyrimidin-2-yl)-3-benzyl-N-(2-oxopiperidin-3-yl)azetidine-3-carboxamide
CID 169415388
1-N-[(3S)-2-oxopiperidin-3-yl]-2-N-[(3R)-2-oxopiperidin-3-yl]benzene-1,2-dicarboxamide
CID 26791100
2-[(3-methylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 62738506

Frequently Asked Questions

What is the IUPAC name of (1S,2R,4S)-2-benzyl-N-[(3R)-2-oxopiperidin-3-yl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of (1S,2R,4S)-2-benzyl-N-[(3R)-2-oxopiperidin-3-yl]bicyclo[2.2.1]heptane-2-carboxamide (CID 129378328) is (1S,2R,4S)-2-benzyl-N-[(3R)-2-oxopiperidin-3-yl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for (1S,2R,4S)-2-benzyl-N-[(3R)-2-oxopiperidin-3-yl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for (1S,2R,4S)-2-benzyl-N-[(3R)-2-oxopiperidin-3-yl]bicyclo[2.2.1]heptane-2-carboxamide is O=C1NCCC[C@H]1NC(=O)[C@@]1(Cc2ccccc2)C[C@H]2CC[C@H]1C2.
What is the InChIKey of (1S,2R,4S)-2-benzyl-N-[(3R)-2-oxopiperidin-3-yl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is MZEPQDMMMQNZID-LJCCNALRSA-N. The full InChI is InChI=1S/C20H26N2O2/c23-18-17(7-4-10-21-18)22-19(24)20(12-14-5-2-1-3-6-14)13-15-8-9-16(20)11-15/h1-3,5-6,15-17H,4,7-13H2,(H,21,23)(H,22,24)/t15-,16-,17+,20-/m0/s1.
What are the key properties of (1S,2R,4S)-2-benzyl-N-[(3R)-2-oxopiperidin-3-yl]bicyclo[2.2.1]heptane-2-carboxamide?
(1S,2R,4S)-2-benzyl-N-[(3R)-2-oxopiperidin-3-yl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4S)-2-benzyl-N-[(3R)-2-oxopiperidin-3-yl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 129378328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).