4-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)-N-(3-methylphenyl)piperazine-1-carboxamide

C22H32N4O2 — CID 120988658

IUPAC4-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)-N-(3-methylphenyl)piperazine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCN(C(=O)C3CC4CCCC(C3)C4N)CC2)c1
InChIInChI=1S/C22H32N4O2/c1-15-4-2-7-19(12-15)24-22(28)26-10-8-25(9-11-26)21(27)18-13-16-5-3-6-17(14-18)20(16)23/h2,4,7,12,16-18,20H,3,5-6,8-11,13-14,23H2,1H3,(H,24,28)
InChIKeyZSDDONOZGDINEU-UHFFFAOYSA-N
MW384.52 g/mol
LogP2.82
Rot. Bonds2

About 4-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)-N-(3-methylphenyl)piperazine-1-carboxamide

4-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)-N-(3-methylphenyl)piperazine-1-carboxamide (PubChem CID 120988658) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is 4-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)-N-(3-methylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)-N-(3-methylphenyl)piperazine-1-carboxamide
PubChem CID120988658
Molecular FormulaC22H32N4O2
Molecular Weight384.52 g/mol
Exact Mass384.25
IUPAC Name4-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)-N-(3-methylphenyl)piperazine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCN(C(=O)C3CC4CCCC(C3)C4N)CC2)c1
InChIInChI=1S/C22H32N4O2/c1-15-4-2-7-19(12-15)24-22(28)26-10-8-25(9-11-26)21(27)18-13-16-5-3-6-17(14-18)20(16)23/h2,4,7,12,16-18,20H,3,5-6,8-11,13-14,23H2,1H3,(H,24,28)
InChIKeyZSDDONOZGDINEU-UHFFFAOYSA-N
XLogP2.82
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)-N-(3-methylphenyl)piperazine-1-carboxamide with MolForge

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Related Compounds

4-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-N-(3-methylphenyl)piperazine-1-carboxamide;hydrochloride
CID 119313008
1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 16645831
2-[4-[(3-methylphenyl)carbamoyl]piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 119183557
3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-(3-methylphenyl)piperidine-1-carboxamide
CID 119410579
N-(3-methylphenyl)-4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carboxamide
CID 56877722
1-N,4-N-bis(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 3222755
1-[(3-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 16772166
cis-methyl (1R,2S)-2-[4-[(3-methylphenyl)carbamoyl]piperazine-1-carbonyl]cyclopropane-1-carboxylate
CID 125129936
(3R)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 51458679
4-cyclopropylidene-N-(3-methylphenyl)piperidine-1-carboxamide
CID 121187164
N-(3-methylphenyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 113111218
4-N-methyl-1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 84531623

Frequently Asked Questions

What is the IUPAC name of 4-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)-N-(3-methylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)-N-(3-methylphenyl)piperazine-1-carboxamide (CID 120988658) is 4-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)-N-(3-methylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)-N-(3-methylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)-N-(3-methylphenyl)piperazine-1-carboxamide is Cc1cccc(NC(=O)N2CCN(C(=O)C3CC4CCCC(C3)C4N)CC2)c1.
What is the InChIKey of 4-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)-N-(3-methylphenyl)piperazine-1-carboxamide?
The InChIKey is ZSDDONOZGDINEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O2/c1-15-4-2-7-19(12-15)24-22(28)26-10-8-25(9-11-26)21(27)18-13-16-5-3-6-17(14-18)20(16)23/h2,4,7,12,16-18,20H,3,5-6,8-11,13-14,23H2,1H3,(H,24,28).
What are the key properties of 4-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)-N-(3-methylphenyl)piperazine-1-carboxamide?
4-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)-N-(3-methylphenyl)piperazine-1-carboxamide has a molecular weight of 384.52 g/mol, XLogP of 2.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)-N-(3-methylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 120988658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).