(9-amino-3-bicyclo[3.3.1]nonanyl)-[4-(3-methoxybenzoyl)piperazin-1-yl]methanone

C22H31N3O3 — CID 120985092

IUPAC(9-amino-3-bicyclo[3.3.1]nonanyl)-[4-(3-methoxybenzoyl)piperazin-1-yl]methanone
SMILESCOc1cccc(C(=O)N2CCN(C(=O)C3CC4CCCC(C3)C4N)CC2)c1
InChIInChI=1S/C22H31N3O3/c1-28-19-7-3-6-17(14-19)21(26)24-8-10-25(11-9-24)22(27)18-12-15-4-2-5-16(13-18)20(15)23/h3,6-7,14-16,18,20H,2,4-5,8-13,23H2,1H3
InChIKeyHAQZXOMTYADHQJ-UHFFFAOYSA-N
MW385.51 g/mol
LogP2.13
Rot. Bonds3

About (9-amino-3-bicyclo[3.3.1]nonanyl)-[4-(3-methoxybenzoyl)piperazin-1-yl]methanone

(9-amino-3-bicyclo[3.3.1]nonanyl)-[4-(3-methoxybenzoyl)piperazin-1-yl]methanone (PubChem CID 120985092) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is (9-amino-3-bicyclo[3.3.1]nonanyl)-[4-(3-methoxybenzoyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(9-amino-3-bicyclo[3.3.1]nonanyl)-[4-(3-methoxybenzoyl)piperazin-1-yl]methanone
PubChem CID120985092
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC Name(9-amino-3-bicyclo[3.3.1]nonanyl)-[4-(3-methoxybenzoyl)piperazin-1-yl]methanone
SMILESCOc1cccc(C(=O)N2CCN(C(=O)C3CC4CCCC(C3)C4N)CC2)c1
InChIInChI=1S/C22H31N3O3/c1-28-19-7-3-6-17(14-19)21(26)24-8-10-25(11-9-24)22(27)18-12-15-4-2-5-16(13-18)20(15)23/h3,6-7,14-16,18,20H,2,4-5,8-13,23H2,1H3
InChIKeyHAQZXOMTYADHQJ-UHFFFAOYSA-N
XLogP2.13
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (9-amino-3-bicyclo[3.3.1]nonanyl)-[4-(3-methoxybenzoyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

(3-aminocyclohexyl)-[4-(3-methoxybenzoyl)piperazin-1-yl]methanone;hydrochloride
CID 119727471
(9-amino-3-bicyclo[3.3.1]nonanyl)-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]methanone;hydrochloride
CID 120986529
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
2-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 119181198
[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]-phenylmethanone
CID 120984529
4-[4-(3-methoxybenzoyl)-1,4-diazepane-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 108544915
(4-cycloheptylpiperazin-1-yl)-(3-methoxyphenyl)methanone
CID 113074909
(3-methoxyphenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 110868482
[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 110798483
[4-(4-methoxyphenoxy)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 110396820
(4-cyclopentylpiperazin-1-yl)-(3-methoxyphenyl)methanone;oxalic acid
CID 17366000
(3-methoxyphenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 712550

Frequently Asked Questions

What is the IUPAC name of (9-amino-3-bicyclo[3.3.1]nonanyl)-[4-(3-methoxybenzoyl)piperazin-1-yl]methanone?
The IUPAC name of (9-amino-3-bicyclo[3.3.1]nonanyl)-[4-(3-methoxybenzoyl)piperazin-1-yl]methanone (CID 120985092) is (9-amino-3-bicyclo[3.3.1]nonanyl)-[4-(3-methoxybenzoyl)piperazin-1-yl]methanone.
What is the SMILES notation for (9-amino-3-bicyclo[3.3.1]nonanyl)-[4-(3-methoxybenzoyl)piperazin-1-yl]methanone?
The canonical SMILES for (9-amino-3-bicyclo[3.3.1]nonanyl)-[4-(3-methoxybenzoyl)piperazin-1-yl]methanone is COc1cccc(C(=O)N2CCN(C(=O)C3CC4CCCC(C3)C4N)CC2)c1.
What is the InChIKey of (9-amino-3-bicyclo[3.3.1]nonanyl)-[4-(3-methoxybenzoyl)piperazin-1-yl]methanone?
The InChIKey is HAQZXOMTYADHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-28-19-7-3-6-17(14-19)21(26)24-8-10-25(11-9-24)22(27)18-12-15-4-2-5-16(13-18)20(15)23/h3,6-7,14-16,18,20H,2,4-5,8-13,23H2,1H3.
What are the key properties of (9-amino-3-bicyclo[3.3.1]nonanyl)-[4-(3-methoxybenzoyl)piperazin-1-yl]methanone?
(9-amino-3-bicyclo[3.3.1]nonanyl)-[4-(3-methoxybenzoyl)piperazin-1-yl]methanone has a molecular weight of 385.51 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (9-amino-3-bicyclo[3.3.1]nonanyl)-[4-(3-methoxybenzoyl)piperazin-1-yl]methanone is sourced from PubChem (CID 120985092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).