(1-ethylsulfonylpiperidin-4-yl)-(4-methyl-2-phenylpiperazin-1-yl)methanone

C19H29N3O3S — CID 51266743

IUPAC(1-ethylsulfonylpiperidin-4-yl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
SMILESCCS(=O)(=O)N1CCC(C(=O)N2CCN(C)CC2c2ccccc2)CC1
InChIInChI=1S/C19H29N3O3S/c1-3-26(24,25)21-11-9-17(10-12-21)19(23)22-14-13-20(2)15-18(22)16-7-5-4-6-8-16/h4-8,17-18H,3,9-15H2,1-2H3
InChIKeyZPLUEKPTIRMDNF-UHFFFAOYSA-N
MW379.53 g/mol
LogP1.56
Rot. Bonds4

About (1-ethylsulfonylpiperidin-4-yl)-(4-methyl-2-phenylpiperazin-1-yl)methanone

(1-ethylsulfonylpiperidin-4-yl)-(4-methyl-2-phenylpiperazin-1-yl)methanone (PubChem CID 51266743) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is (1-ethylsulfonylpiperidin-4-yl)-(4-methyl-2-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(1-ethylsulfonylpiperidin-4-yl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
PubChem CID51266743
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC Name(1-ethylsulfonylpiperidin-4-yl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
SMILESCCS(=O)(=O)N1CCC(C(=O)N2CCN(C)CC2c2ccccc2)CC1
InChIInChI=1S/C19H29N3O3S/c1-3-26(24,25)21-11-9-17(10-12-21)19(23)22-14-13-20(2)15-18(22)16-7-5-4-6-8-16/h4-8,17-18H,3,9-15H2,1-2H3
InChIKeyZPLUEKPTIRMDNF-UHFFFAOYSA-N
XLogP1.56
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methyl-2-phenylpiperazin-1-yl)-(oxan-4-yl)methanone
CID 51251992
[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 37333249
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
tert-butyl 4-[(2R)-4-methyl-2-phenylpiperazine-1-carbonyl]piperidine-1-carboxylate
CID 30665594
2-[3-(4-methyl-2-phenylpiperazine-1-carbonyl)piperidin-1-yl]acetamide
CID 131911214
(4-methyl-2-phenylpiperazin-1-yl)-pyrrolidin-1-ylmethanone
CID 115578734
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(1-ethylsulfonylpiperidin-4-yl)methanone
CID 120748068
(4-methyl-2-phenylpiperazin-1-yl)-phenylmethanone
CID 4069484
2-bromo-1-(4-methyl-2-phenylpiperazin-1-yl)butan-1-one
CID 62856286
1-[(2S)-4-(1-methylpiperidine-4-carbonyl)-2-phenylpiperazin-1-yl]ethanone
CID 124972769
[(2S)-4-methyl-2-phenylpiperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 100836872

Frequently Asked Questions

What is the IUPAC name of (1-ethylsulfonylpiperidin-4-yl)-(4-methyl-2-phenylpiperazin-1-yl)methanone?
The IUPAC name of (1-ethylsulfonylpiperidin-4-yl)-(4-methyl-2-phenylpiperazin-1-yl)methanone (CID 51266743) is (1-ethylsulfonylpiperidin-4-yl)-(4-methyl-2-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for (1-ethylsulfonylpiperidin-4-yl)-(4-methyl-2-phenylpiperazin-1-yl)methanone?
The canonical SMILES for (1-ethylsulfonylpiperidin-4-yl)-(4-methyl-2-phenylpiperazin-1-yl)methanone is CCS(=O)(=O)N1CCC(C(=O)N2CCN(C)CC2c2ccccc2)CC1.
What is the InChIKey of (1-ethylsulfonylpiperidin-4-yl)-(4-methyl-2-phenylpiperazin-1-yl)methanone?
The InChIKey is ZPLUEKPTIRMDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S/c1-3-26(24,25)21-11-9-17(10-12-21)19(23)22-14-13-20(2)15-18(22)16-7-5-4-6-8-16/h4-8,17-18H,3,9-15H2,1-2H3.
What are the key properties of (1-ethylsulfonylpiperidin-4-yl)-(4-methyl-2-phenylpiperazin-1-yl)methanone?
(1-ethylsulfonylpiperidin-4-yl)-(4-methyl-2-phenylpiperazin-1-yl)methanone has a molecular weight of 379.53 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylsulfonylpiperidin-4-yl)-(4-methyl-2-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 51266743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).