N-[(1-benzylpiperidin-4-yl)methyl]-2-(1,1-dioxothiolan-3-yl)-N-methylacetamide

C20H30N2O3S — CID 70777786

IUPACN-[(1-benzylpiperidin-4-yl)methyl]-2-(1,1-dioxothiolan-3-yl)-N-methylacetamide
SMILESCN(CC1CCN(Cc2ccccc2)CC1)C(=O)CC1CCS(=O)(=O)C1
InChIInChI=1S/C20H30N2O3S/c1-21(20(23)13-19-9-12-26(24,25)16-19)14-18-7-10-22(11-8-18)15-17-5-3-2-4-6-17/h2-6,18-19H,7-16H2,1H3
InChIKeyGUGFAEMFIAKMSK-UHFFFAOYSA-N
MW378.54 g/mol
LogP2.18
Rot. Bonds6

About N-[(1-benzylpiperidin-4-yl)methyl]-2-(1,1-dioxothiolan-3-yl)-N-methylacetamide

N-[(1-benzylpiperidin-4-yl)methyl]-2-(1,1-dioxothiolan-3-yl)-N-methylacetamide (PubChem CID 70777786) has the molecular formula C20H30N2O3S and a molecular weight of 378.54 g/mol. Its IUPAC name is N-[(1-benzylpiperidin-4-yl)methyl]-2-(1,1-dioxothiolan-3-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-[(1-benzylpiperidin-4-yl)methyl]-2-(1,1-dioxothiolan-3-yl)-N-methylacetamide
PubChem CID70777786
Molecular FormulaC20H30N2O3S
Molecular Weight378.54 g/mol
Exact Mass378.20
IUPAC NameN-[(1-benzylpiperidin-4-yl)methyl]-2-(1,1-dioxothiolan-3-yl)-N-methylacetamide
SMILESCN(CC1CCN(Cc2ccccc2)CC1)C(=O)CC1CCS(=O)(=O)C1
InChIInChI=1S/C20H30N2O3S/c1-21(20(23)13-19-9-12-26(24,25)16-19)14-18-7-10-22(11-8-18)15-17-5-3-2-4-6-17/h2-6,18-19H,7-16H2,1H3
InChIKeyGUGFAEMFIAKMSK-UHFFFAOYSA-N
XLogP2.18
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.54
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-chlorophenyl)methyl]-2-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 78813337
N-[(1-benzylpyrrolidin-3-yl)methyl]-2-(cyclopropylmethylamino)-N-methylacetamide;dihydrochloride
CID 119884965
N-[(1-benzylpiperidin-4-yl)methyl]-N-methyl-2-(2-oxopyrimidin-1-yl)acetamide
CID 70754540
(2R)-N-[(1-benzylpiperidin-4-yl)methyl]-2-cyclohexyl-2-hydroxy-N-methylacetamide
CID 70783649
N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methyl-2-phenylacetamide
CID 11163946
1-benzyl-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N-methylpiperidine-4-carboxamide
CID 136512341
(2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-2-cyclohexyl-N-methylacetamide
CID 70738202
N-[(1-benzylpiperidin-4-yl)methyl]-N-methyl-3-(3-oxo-1,2-oxazol-5-yl)propanamide
CID 70708863
1-(1,1-dioxothiolan-3-yl)-4-phenylbutan-2-one
CID 105080030
N-(1-benzylpiperidin-3-yl)-N-methyl-1,1-dioxothiolane-3-carboxamide
CID 127393578
N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methylbenzamide
CID 10019926
(2R)-N-[(1-benzylpiperidin-4-yl)methyl]-N-methylmorpholine-2-carboxamide
CID 96579373

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpiperidin-4-yl)methyl]-2-(1,1-dioxothiolan-3-yl)-N-methylacetamide?
The IUPAC name of N-[(1-benzylpiperidin-4-yl)methyl]-2-(1,1-dioxothiolan-3-yl)-N-methylacetamide (CID 70777786) is N-[(1-benzylpiperidin-4-yl)methyl]-2-(1,1-dioxothiolan-3-yl)-N-methylacetamide.
What is the SMILES notation for N-[(1-benzylpiperidin-4-yl)methyl]-2-(1,1-dioxothiolan-3-yl)-N-methylacetamide?
The canonical SMILES for N-[(1-benzylpiperidin-4-yl)methyl]-2-(1,1-dioxothiolan-3-yl)-N-methylacetamide is CN(CC1CCN(Cc2ccccc2)CC1)C(=O)CC1CCS(=O)(=O)C1.
What is the InChIKey of N-[(1-benzylpiperidin-4-yl)methyl]-2-(1,1-dioxothiolan-3-yl)-N-methylacetamide?
The InChIKey is GUGFAEMFIAKMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3S/c1-21(20(23)13-19-9-12-26(24,25)16-19)14-18-7-10-22(11-8-18)15-17-5-3-2-4-6-17/h2-6,18-19H,7-16H2,1H3.
What are the key properties of N-[(1-benzylpiperidin-4-yl)methyl]-2-(1,1-dioxothiolan-3-yl)-N-methylacetamide?
N-[(1-benzylpiperidin-4-yl)methyl]-2-(1,1-dioxothiolan-3-yl)-N-methylacetamide has a molecular weight of 378.54 g/mol, XLogP of 2.18, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpiperidin-4-yl)methyl]-2-(1,1-dioxothiolan-3-yl)-N-methylacetamide is sourced from PubChem (CID 70777786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).