1-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-4-phenylpiperidine-4-carboxamide

C18H26N2O3S — CID 90649518

IUPAC1-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-4-phenylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)NC2(C)CCS(=O)(=O)C2)(c2ccccc2)CC1
InChIInChI=1S/C18H26N2O3S/c1-17(10-13-24(22,23)14-17)19-16(21)18(8-11-20(2)12-9-18)15-6-4-3-5-7-15/h3-7H,8-14H2,1-2H3,(H,19,21)
InChIKeyUYXUAMKGHZZHHZ-UHFFFAOYSA-N
MW350.48 g/mol
LogP1.34
Rot. Bonds3

About 1-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-4-phenylpiperidine-4-carboxamide

1-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-4-phenylpiperidine-4-carboxamide (PubChem CID 90649518) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is 1-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-4-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-4-phenylpiperidine-4-carboxamide
PubChem CID90649518
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC Name1-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-4-phenylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)NC2(C)CCS(=O)(=O)C2)(c2ccccc2)CC1
InChIInChI=1S/C18H26N2O3S/c1-17(10-13-24(22,23)14-17)19-16(21)18(8-11-20(2)12-9-18)15-6-4-3-5-7-15/h3-7H,8-14H2,1-2H3,(H,19,21)
InChIKeyUYXUAMKGHZZHHZ-UHFFFAOYSA-N
XLogP1.34
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)-1-phenylpyrazole-3-carboxamide
CID 119032239
phenyl N-(3-methyl-1,1-dioxothiolan-3-yl)carbamate
CID 3814672
N-(3-methyl-1,1-dioxothiolan-3-yl)-4-oxo-4-phenylbutanamide
CID 78789298
ethane;1-(1-methyl-4-phenylpiperidin-4-yl)ethanone
CID 142234694
4-[3-[[(3R)-3-methyl-1,1-dioxothiolan-3-yl]amino]-3-oxopropyl]benzoic acid
CID 125153020
1-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)cyclopropane-1-carboxamide
CID 65464423
2-[(3-methyl-1,1-dioxothiolan-3-yl)carbamoyl]pyridine-3-carboxylic acid
CID 63614767
5-[[(1-methyl-4-phenylpiperidine-4-carbonyl)amino]methyl]furan-2-carboxylic acid
CID 90652511
5-[(3-methyl-1,1-dioxothiolan-3-yl)carbamoyl]thiophene-2-carboxylic acid
CID 60722078
4-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 60716553
N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 30417511
N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)acetamide
CID 92764547

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-4-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-4-phenylpiperidine-4-carboxamide (CID 90649518) is 1-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-4-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-4-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-4-phenylpiperidine-4-carboxamide is CN1CCC(C(=O)NC2(C)CCS(=O)(=O)C2)(c2ccccc2)CC1.
What is the InChIKey of 1-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-4-phenylpiperidine-4-carboxamide?
The InChIKey is UYXUAMKGHZZHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3S/c1-17(10-13-24(22,23)14-17)19-16(21)18(8-11-20(2)12-9-18)15-6-4-3-5-7-15/h3-7H,8-14H2,1-2H3,(H,19,21).
What are the key properties of 1-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-4-phenylpiperidine-4-carboxamide?
1-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-4-phenylpiperidine-4-carboxamide has a molecular weight of 350.48 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-4-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 90649518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).