1-[(2S)-4-(1-methylpiperidine-4-carbonyl)-2-phenylpiperazin-1-yl]ethanone

C19H27N3O2 — CID 124972769

IUPAC1-[(2S)-4-(1-methylpiperidine-4-carbonyl)-2-phenylpiperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)C2CCN(C)CC2)C[C@@H]1c1ccccc1
InChIInChI=1S/C19H27N3O2/c1-15(23)22-13-12-21(14-18(22)16-6-4-3-5-7-16)19(24)17-8-10-20(2)11-9-17/h3-7,17-18H,8-14H2,1-2H3/t18-/m1/s1
InChIKeyKFQXNCYFVHMGCR-GOSISDBHSA-N
MW329.44 g/mol
LogP1.76
Rot. Bonds2

About 1-[(2S)-4-(1-methylpiperidine-4-carbonyl)-2-phenylpiperazin-1-yl]ethanone

1-[(2S)-4-(1-methylpiperidine-4-carbonyl)-2-phenylpiperazin-1-yl]ethanone (PubChem CID 124972769) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-[(2S)-4-(1-methylpiperidine-4-carbonyl)-2-phenylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-4-(1-methylpiperidine-4-carbonyl)-2-phenylpiperazin-1-yl]ethanone
PubChem CID124972769
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name1-[(2S)-4-(1-methylpiperidine-4-carbonyl)-2-phenylpiperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)C2CCN(C)CC2)C[C@@H]1c1ccccc1
InChIInChI=1S/C19H27N3O2/c1-15(23)22-13-12-21(14-18(22)16-6-4-3-5-7-16)19(24)17-8-10-20(2)11-9-17/h3-7,17-18H,8-14H2,1-2H3/t18-/m1/s1
InChIKeyKFQXNCYFVHMGCR-GOSISDBHSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3S)-4-(oxane-4-carbonyl)-3-phenylpiperazin-1-yl]ethanone
CID 124947252
(1-methylpiperidin-4-yl)-(4-phenylpiperidin-1-yl)methanone
CID 91806523
1-[4-(2-methylbenzoyl)-2-phenylpiperazin-1-yl]ethanone
CID 110109594
(4-methyl-3-phenylpiperazin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone
CID 110418535
4-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 37332906
4-[(2R)-4-methyl-2-phenylpiperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 37332907
(4-methyl-2-phenylpiperazin-1-yl)-(oxan-4-yl)methanone
CID 51251992
1-[4-(1-methylimidazole-2-carbonyl)-2-phenylpiperazin-1-yl]ethanone
CID 155983621
1-[(2R)-2-phenyl-4-(1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone
CID 125020144
(1-ethylsulfonylpiperidin-4-yl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 51266743
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(1-methylpiperidin-4-yl)methanone;dihydrochloride
CID 120742855
1-[(3S)-4-acetyl-3-phenylpiperazin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 125002392

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-4-(1-methylpiperidine-4-carbonyl)-2-phenylpiperazin-1-yl]ethanone?
The IUPAC name of 1-[(2S)-4-(1-methylpiperidine-4-carbonyl)-2-phenylpiperazin-1-yl]ethanone (CID 124972769) is 1-[(2S)-4-(1-methylpiperidine-4-carbonyl)-2-phenylpiperazin-1-yl]ethanone.
What is the SMILES notation for 1-[(2S)-4-(1-methylpiperidine-4-carbonyl)-2-phenylpiperazin-1-yl]ethanone?
The canonical SMILES for 1-[(2S)-4-(1-methylpiperidine-4-carbonyl)-2-phenylpiperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)C2CCN(C)CC2)C[C@@H]1c1ccccc1.
What is the InChIKey of 1-[(2S)-4-(1-methylpiperidine-4-carbonyl)-2-phenylpiperazin-1-yl]ethanone?
The InChIKey is KFQXNCYFVHMGCR-GOSISDBHSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-15(23)22-13-12-21(14-18(22)16-6-4-3-5-7-16)19(24)17-8-10-20(2)11-9-17/h3-7,17-18H,8-14H2,1-2H3/t18-/m1/s1.
What are the key properties of 1-[(2S)-4-(1-methylpiperidine-4-carbonyl)-2-phenylpiperazin-1-yl]ethanone?
1-[(2S)-4-(1-methylpiperidine-4-carbonyl)-2-phenylpiperazin-1-yl]ethanone has a molecular weight of 329.44 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-4-(1-methylpiperidine-4-carbonyl)-2-phenylpiperazin-1-yl]ethanone is sourced from PubChem (CID 124972769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).