(1-butan-2-ylpiperidin-4-yl)-[4-(5-propan-2-ylpyridine-2-carbonyl)piperazin-1-yl]methanone

C23H36N4O2 — CID 166111975

IUPAC(1-butan-2-ylpiperidin-4-yl)-[4-(5-propan-2-ylpyridine-2-carbonyl)piperazin-1-yl]methanone
SMILESCCC(C)N1CCC(C(=O)N2CCN(C(=O)c3ccc(C(C)C)cn3)CC2)CC1
InChIInChI=1S/C23H36N4O2/c1-5-18(4)25-10-8-19(9-11-25)22(28)26-12-14-27(15-13-26)23(29)21-7-6-20(16-24-21)17(2)3/h6-7,16-19H,5,8-15H2,1-4H3
InChIKeyVJRMSDUAYKOROY-UHFFFAOYSA-N
MW400.57 g/mol
LogP3.00
Rot. Bonds5

About (1-butan-2-ylpiperidin-4-yl)-[4-(5-propan-2-ylpyridine-2-carbonyl)piperazin-1-yl]methanone

(1-butan-2-ylpiperidin-4-yl)-[4-(5-propan-2-ylpyridine-2-carbonyl)piperazin-1-yl]methanone (PubChem CID 166111975) has the molecular formula C23H36N4O2 and a molecular weight of 400.57 g/mol. Its IUPAC name is (1-butan-2-ylpiperidin-4-yl)-[4-(5-propan-2-ylpyridine-2-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-butan-2-ylpiperidin-4-yl)-[4-(5-propan-2-ylpyridine-2-carbonyl)piperazin-1-yl]methanone
PubChem CID166111975
Molecular FormulaC23H36N4O2
Molecular Weight400.57 g/mol
Exact Mass400.28
IUPAC Name(1-butan-2-ylpiperidin-4-yl)-[4-(5-propan-2-ylpyridine-2-carbonyl)piperazin-1-yl]methanone
SMILESCCC(C)N1CCC(C(=O)N2CCN(C(=O)c3ccc(C(C)C)cn3)CC2)CC1
InChIInChI=1S/C23H36N4O2/c1-5-18(4)25-10-8-19(9-11-25)22(28)26-12-14-27(15-13-26)23(29)21-7-6-20(16-24-21)17(2)3/h6-7,16-19H,5,8-15H2,1-4H3
InChIKeyVJRMSDUAYKOROY-UHFFFAOYSA-N
XLogP3.00
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.57
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1-butan-2-ylpiperidin-4-yl)-[4-(5-propan-2-ylpyridine-2-carbonyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

N,N-diethyl-4-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]piperidine-1-carboxamide
CID 55683412
[4-(4-chlorophenoxy)piperidin-1-yl]-(5-propan-2-yl-2-pyridinyl)methanone
CID 166338794
(4-methylpiperazin-1-yl)-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]methanone
CID 130315888
azepan-1-yl-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]methanone
CID 55408103
(4-butan-2-ylpiperazin-1-yl)-(6-chloro-3-pyridinyl)methanone
CID 62776003
1-[4-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 110814030
2-[4-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]-N-(4-propan-2-ylphenyl)butanamide
CID 20973244
cyclopentyl-[4-(5-methylpyrazine-2-carbonyl)piperazin-1-yl]methanone
CID 38390846
(4-methylpiperidin-1-yl)-[1-[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]methanone
CID 55950587
aziridin-1-yl-(5-methyl-2-pyridinyl)methanone
CID 126996011
cyclopropyl-[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]methanone
CID 32890940
1-[3-(4-butan-2-yl-1,4-diazepane-1-carbonyl)azetidin-1-yl]ethanone
CID 91597919

Frequently Asked Questions

What is the IUPAC name of (1-butan-2-ylpiperidin-4-yl)-[4-(5-propan-2-ylpyridine-2-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of (1-butan-2-ylpiperidin-4-yl)-[4-(5-propan-2-ylpyridine-2-carbonyl)piperazin-1-yl]methanone (CID 166111975) is (1-butan-2-ylpiperidin-4-yl)-[4-(5-propan-2-ylpyridine-2-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (1-butan-2-ylpiperidin-4-yl)-[4-(5-propan-2-ylpyridine-2-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for (1-butan-2-ylpiperidin-4-yl)-[4-(5-propan-2-ylpyridine-2-carbonyl)piperazin-1-yl]methanone is CCC(C)N1CCC(C(=O)N2CCN(C(=O)c3ccc(C(C)C)cn3)CC2)CC1.
What is the InChIKey of (1-butan-2-ylpiperidin-4-yl)-[4-(5-propan-2-ylpyridine-2-carbonyl)piperazin-1-yl]methanone?
The InChIKey is VJRMSDUAYKOROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O2/c1-5-18(4)25-10-8-19(9-11-25)22(28)26-12-14-27(15-13-26)23(29)21-7-6-20(16-24-21)17(2)3/h6-7,16-19H,5,8-15H2,1-4H3.
What are the key properties of (1-butan-2-ylpiperidin-4-yl)-[4-(5-propan-2-ylpyridine-2-carbonyl)piperazin-1-yl]methanone?
(1-butan-2-ylpiperidin-4-yl)-[4-(5-propan-2-ylpyridine-2-carbonyl)piperazin-1-yl]methanone has a molecular weight of 400.57 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butan-2-ylpiperidin-4-yl)-[4-(5-propan-2-ylpyridine-2-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 166111975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).