1-[4-(3-methyl-4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone

C19H27N3O2 — CID 110741110

IUPAC1-[4-(3-methyl-4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)N2CCN(c3ccccc3)C(C)C2)CC1
InChIInChI=1S/C19H27N3O2/c1-15-14-21(12-13-22(15)18-6-4-3-5-7-18)19(24)17-8-10-20(11-9-17)16(2)23/h3-7,15,17H,8-14H2,1-2H3
InChIKeyYIJRKOOEDQGPRS-UHFFFAOYSA-N
MW329.44 g/mol
LogP1.98
Rot. Bonds2

About 1-[4-(3-methyl-4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone

1-[4-(3-methyl-4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone (PubChem CID 110741110) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-[4-(3-methyl-4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(3-methyl-4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
PubChem CID110741110
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name1-[4-(3-methyl-4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)N2CCN(c3ccccc3)C(C)C2)CC1
InChIInChI=1S/C19H27N3O2/c1-15-14-21(12-13-22(15)18-6-4-3-5-7-18)19(24)17-8-10-20(11-9-17)16(2)23/h3-7,15,17H,8-14H2,1-2H3
InChIKeyYIJRKOOEDQGPRS-UHFFFAOYSA-N
XLogP1.98
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-methyl-4-phenylpiperazine-1-carboxylate
CID 110658014
cyclopentyl-(3,5-dimethyl-4-phenylpiperazin-1-yl)methanone
CID 110413099
[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone
CID 92882193
(4-methylcyclohexyl)-[(3R)-3-methyl-4-pyridin-2-ylpiperazin-1-yl]methanone
CID 71682644
1-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]ethanone
CID 17127006
1-[4-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 33464627
[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-[1-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperidin-4-yl]methanone
CID 46297905
(3-methyl-4-phenylpiperazin-1-yl)-pyridin-2-ylmethanone
CID 110741099
1-[3-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 110686098
(2R,3R)-3-[(3S)-3-methyl-4-(4-methylphenyl)piperazine-1-carbonyl]bicyclo[2.2.2]octane-2-carboxylic acid
CID 124764441
1-(1-acetylpiperidine-4-carbonyl)piperidine-3-carboxylic acid
CID 43170987
1-[4-[4-(2-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 9152764

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methyl-4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(3-methyl-4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone (CID 110741110) is 1-[4-(3-methyl-4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(3-methyl-4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(3-methyl-4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone is CC(=O)N1CCC(C(=O)N2CCN(c3ccccc3)C(C)C2)CC1.
What is the InChIKey of 1-[4-(3-methyl-4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone?
The InChIKey is YIJRKOOEDQGPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-15-14-21(12-13-22(15)18-6-4-3-5-7-18)19(24)17-8-10-20(11-9-17)16(2)23/h3-7,15,17H,8-14H2,1-2H3.
What are the key properties of 1-[4-(3-methyl-4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone?
1-[4-(3-methyl-4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone has a molecular weight of 329.44 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methyl-4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 110741110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).