4-[4-[(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]piperazin-1-yl]benzamide

C19H25N3O2 — CID 98762392

IUPAC4-[4-[(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]piperazin-1-yl]benzamide
SMILESNC(=O)c1ccc(N2CCN(C(=O)[C@@H]3C[C@H]4CC[C@H]3C4)CC2)cc1
InChIInChI=1S/C19H25N3O2/c20-18(23)14-3-5-16(6-4-14)21-7-9-22(10-8-21)19(24)17-12-13-1-2-15(17)11-13/h3-6,13,15,17H,1-2,7-12H2,(H2,20,23)/t13-,15-,17+/m0/s1
InChIKeyLRYIAPJWBQSNLL-JLJPHGGASA-N
MW327.43 g/mol
LogP1.87
Rot. Bonds3

About 4-[4-[(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]piperazin-1-yl]benzamide

4-[4-[(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]piperazin-1-yl]benzamide (PubChem CID 98762392) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 4-[4-[(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]piperazin-1-yl]benzamide.

Molecular Properties

Compound Name4-[4-[(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]piperazin-1-yl]benzamide
PubChem CID98762392
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name4-[4-[(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]piperazin-1-yl]benzamide
SMILESNC(=O)c1ccc(N2CCN(C(=O)[C@@H]3C[C@H]4CC[C@H]3C4)CC2)cc1
InChIInChI=1S/C19H25N3O2/c20-18(23)14-3-5-16(6-4-14)21-7-9-22(10-8-21)19(24)17-12-13-1-2-15(17)11-13/h3-6,13,15,17H,1-2,7-12H2,(H2,20,23)/t13-,15-,17+/m0/s1
InChIKeyLRYIAPJWBQSNLL-JLJPHGGASA-N
XLogP1.87
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[4-[(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]piperazin-1-yl]benzamide with MolForge

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Related Compounds

2-bicyclo[2.2.1]heptanyl-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 51261936
[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 6981925
4-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]benzamide;hydrochloride
CID 68549109
4-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]benzamide
CID 68550560
2-bicyclo[2.2.1]heptanyl-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
CID 55636310
4-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]benzamide
CID 68721294
2-bicyclo[2.2.1]heptanyl-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 3117541
4-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]benzamide;dihydrochloride
CID 119890505
[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-piperidin-1-ylmethanone
CID 11871768
1-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 134021690
4-[4-[(2S)-1-methyl-5-oxopyrrolidine-2-carbonyl]piperazin-1-yl]benzamide
CID 136580851
[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] (1S,2S,4S)-bicyclo[2.2.1]heptane-2-carboxylate
CID 98706899

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]piperazin-1-yl]benzamide?
The IUPAC name of 4-[4-[(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]piperazin-1-yl]benzamide (CID 98762392) is 4-[4-[(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]piperazin-1-yl]benzamide.
What is the SMILES notation for 4-[4-[(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]piperazin-1-yl]benzamide?
The canonical SMILES for 4-[4-[(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]piperazin-1-yl]benzamide is NC(=O)c1ccc(N2CCN(C(=O)[C@@H]3C[C@H]4CC[C@H]3C4)CC2)cc1.
What is the InChIKey of 4-[4-[(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]piperazin-1-yl]benzamide?
The InChIKey is LRYIAPJWBQSNLL-JLJPHGGASA-N. The full InChI is InChI=1S/C19H25N3O2/c20-18(23)14-3-5-16(6-4-14)21-7-9-22(10-8-21)19(24)17-12-13-1-2-15(17)11-13/h3-6,13,15,17H,1-2,7-12H2,(H2,20,23)/t13-,15-,17+/m0/s1.
What are the key properties of 4-[4-[(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]piperazin-1-yl]benzamide?
4-[4-[(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]piperazin-1-yl]benzamide has a molecular weight of 327.43 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]piperazin-1-yl]benzamide is sourced from PubChem (CID 98762392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).