1-(4-methylphenyl)-4-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]butane-1,4-dione

C23H32N2O3 — CID 55662229

IUPAC1-(4-methylphenyl)-4-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]butane-1,4-dione
SMILESCc1ccc(C(=O)CCC(=O)N2CCC(C(=O)N3CCCC(C)C3)CC2)cc1
InChIInChI=1S/C23H32N2O3/c1-17-5-7-19(8-6-17)21(26)9-10-22(27)24-14-11-20(12-15-24)23(28)25-13-3-4-18(2)16-25/h5-8,18,20H,3-4,9-16H2,1-2H3
InChIKeyZEZQBBPRXOETGE-UHFFFAOYSA-N
MW384.52 g/mol
LogP3.46
Rot. Bonds5

About 1-(4-methylphenyl)-4-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]butane-1,4-dione

1-(4-methylphenyl)-4-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]butane-1,4-dione (PubChem CID 55662229) has the molecular formula C23H32N2O3 and a molecular weight of 384.52 g/mol. Its IUPAC name is 1-(4-methylphenyl)-4-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]butane-1,4-dione.

Molecular Properties

Compound Name1-(4-methylphenyl)-4-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]butane-1,4-dione
PubChem CID55662229
Molecular FormulaC23H32N2O3
Molecular Weight384.52 g/mol
Exact Mass384.24
IUPAC Name1-(4-methylphenyl)-4-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]butane-1,4-dione
SMILESCc1ccc(C(=O)CCC(=O)N2CCC(C(=O)N3CCCC(C)C3)CC2)cc1
InChIInChI=1S/C23H32N2O3/c1-17-5-7-19(8-6-17)21(26)9-10-22(27)24-14-11-20(12-15-24)23(28)25-13-3-4-18(2)16-25/h5-8,18,20H,3-4,9-16H2,1-2H3
InChIKeyZEZQBBPRXOETGE-UHFFFAOYSA-N
XLogP3.46
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-methylphenyl)-4-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]butane-1,4-dione with MolForge

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Related Compounds

1-(azepan-1-yl)-4-(4-methylphenyl)butane-1,4-dione
CID 2097562
1-(4-acetyl-1,4-diazepan-1-yl)-4-(4-methylphenyl)butane-1,4-dione
CID 134039071
5-methyl-1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidine-3-carboxylic acid
CID 122119448
N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]propanamide
CID 108556085
[1-[(4-methylphenyl)methylsulfonyl]piperidin-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 94015684
1-(2-methylmorpholin-4-yl)-4-(4-methylphenyl)butane-1,4-dione
CID 110309987
1-[4-(methylaminomethyl)piperidin-1-yl]-4-(4-methylphenyl)butane-1,4-dione
CID 119544944
(3-methylpiperidin-1-yl)-[1-(4-methylsulfinylbenzoyl)piperidin-4-yl]methanone
CID 86985291
1-(4-methylphenyl)-4-[4-(3-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 17081750
1-(4-methylphenyl)-4-[4-[3-(4-methylphenyl)propanoyl]-1,4-diazepan-1-yl]butane-1,4-dione
CID 108546073
1-[4-(methylaminomethyl)piperidin-1-yl]-4-(4-methylphenyl)butane-1,4-dione;hydrochloride
CID 119544943
1-[4-(ethylaminomethyl)piperidin-1-yl]-4-(4-methylphenyl)butane-1,4-dione
CID 119646425

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-4-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]butane-1,4-dione?
The IUPAC name of 1-(4-methylphenyl)-4-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]butane-1,4-dione (CID 55662229) is 1-(4-methylphenyl)-4-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]butane-1,4-dione.
What is the SMILES notation for 1-(4-methylphenyl)-4-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]butane-1,4-dione?
The canonical SMILES for 1-(4-methylphenyl)-4-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]butane-1,4-dione is Cc1ccc(C(=O)CCC(=O)N2CCC(C(=O)N3CCCC(C)C3)CC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-4-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]butane-1,4-dione?
The InChIKey is ZEZQBBPRXOETGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O3/c1-17-5-7-19(8-6-17)21(26)9-10-22(27)24-14-11-20(12-15-24)23(28)25-13-3-4-18(2)16-25/h5-8,18,20H,3-4,9-16H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)-4-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]butane-1,4-dione?
1-(4-methylphenyl)-4-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]butane-1,4-dione has a molecular weight of 384.52 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-4-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]butane-1,4-dione is sourced from PubChem (CID 55662229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).