4-benzoyl-N-(3-tricyclo[3.2.1.02,4]octanyl)piperazine-1-carboxamide

C20H25N3O2 — CID 136516132

IUPAC4-benzoyl-N-(3-tricyclo[3.2.1.02,4]octanyl)piperazine-1-carboxamide
SMILESO=C(NC1C2C3CCC(C3)C12)N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C20H25N3O2/c24-19(13-4-2-1-3-5-13)22-8-10-23(11-9-22)20(25)21-18-16-14-6-7-15(12-14)17(16)18/h1-5,14-18H,6-12H2,(H,21,25)
InChIKeyHXECKQIHVLVTFY-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.20
Rot. Bonds2

About 4-benzoyl-N-(3-tricyclo[3.2.1.02,4]octanyl)piperazine-1-carboxamide

4-benzoyl-N-(3-tricyclo[3.2.1.02,4]octanyl)piperazine-1-carboxamide (PubChem CID 136516132) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-benzoyl-N-(3-tricyclo[3.2.1.02,4]octanyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-benzoyl-N-(3-tricyclo[3.2.1.02,4]octanyl)piperazine-1-carboxamide
PubChem CID136516132
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name4-benzoyl-N-(3-tricyclo[3.2.1.02,4]octanyl)piperazine-1-carboxamide
SMILESO=C(NC1C2C3CCC(C3)C12)N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C20H25N3O2/c24-19(13-4-2-1-3-5-13)22-8-10-23(11-9-22)20(25)21-18-16-14-6-7-15(12-14)17(16)18/h1-5,14-18H,6-12H2,(H,21,25)
InChIKeyHXECKQIHVLVTFY-UHFFFAOYSA-N
XLogP2.20
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(pyrrolidine-1-carbonyl)phenyl]-3-(3-tricyclo[3.2.1.02,4]octanyl)urea
CID 136515061
4-benzoyl-N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]piperazine-1-carbothioamide
CID 18557202
(5-hydroxyazocan-1-yl)-phenylmethanone
CID 165346872
4-(4-hydroxybenzoyl)-N-[(1R,2R)-2-phenylcyclopropyl]piperazine-1-carboxamide
CID 95196037
4-benzoyl-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]piperazine-1-carboxamide
CID 60546042
ethane;[4-(methylamino)piperidin-1-yl]-phenylmethanone
CID 145194562
1-(1-benzoylpiperidin-4-yl)-3-cyclopropylthiourea
CID 92519828
1-(1-benzoylpiperidin-4-yl)-3-phenylpropane-1,3-dione
CID 15428765
(4-aminopiperazin-1-yl)-phenylmethanone
CID 12554633
phenyl-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 742493
[4-(bromomethylsulfonyl)piperazin-1-yl]-phenylmethanone
CID 83093371
4-benzoyl-N-(3-methylphenyl)piperazine-1-carboxamide
CID 18101727

Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-N-(3-tricyclo[3.2.1.02,4]octanyl)piperazine-1-carboxamide?
The IUPAC name of 4-benzoyl-N-(3-tricyclo[3.2.1.02,4]octanyl)piperazine-1-carboxamide (CID 136516132) is 4-benzoyl-N-(3-tricyclo[3.2.1.02,4]octanyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-benzoyl-N-(3-tricyclo[3.2.1.02,4]octanyl)piperazine-1-carboxamide?
The canonical SMILES for 4-benzoyl-N-(3-tricyclo[3.2.1.02,4]octanyl)piperazine-1-carboxamide is O=C(NC1C2C3CCC(C3)C12)N1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of 4-benzoyl-N-(3-tricyclo[3.2.1.02,4]octanyl)piperazine-1-carboxamide?
The InChIKey is HXECKQIHVLVTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c24-19(13-4-2-1-3-5-13)22-8-10-23(11-9-22)20(25)21-18-16-14-6-7-15(12-14)17(16)18/h1-5,14-18H,6-12H2,(H,21,25).
What are the key properties of 4-benzoyl-N-(3-tricyclo[3.2.1.02,4]octanyl)piperazine-1-carboxamide?
4-benzoyl-N-(3-tricyclo[3.2.1.02,4]octanyl)piperazine-1-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-N-(3-tricyclo[3.2.1.02,4]octanyl)piperazine-1-carboxamide is sourced from PubChem (CID 136516132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).