N-benzyl-1-(2-methoxyethylsulfonyl)-N-propan-2-ylpiperidine-3-carboxamide

C19H30N2O4S — CID 110335879

IUPACN-benzyl-1-(2-methoxyethylsulfonyl)-N-propan-2-ylpiperidine-3-carboxamide
SMILESCOCCS(=O)(=O)N1CCCC(C(=O)N(Cc2ccccc2)C(C)C)C1
InChIInChI=1S/C19H30N2O4S/c1-16(2)21(14-17-8-5-4-6-9-17)19(22)18-10-7-11-20(15-18)26(23,24)13-12-25-3/h4-6,8-9,16,18H,7,10-15H2,1-3H3
InChIKeyUOSNNTUNGVAJTJ-UHFFFAOYSA-N
MW382.53 g/mol
LogP2.11
Rot. Bonds8

About N-benzyl-1-(2-methoxyethylsulfonyl)-N-propan-2-ylpiperidine-3-carboxamide

N-benzyl-1-(2-methoxyethylsulfonyl)-N-propan-2-ylpiperidine-3-carboxamide (PubChem CID 110335879) has the molecular formula C19H30N2O4S and a molecular weight of 382.53 g/mol. Its IUPAC name is N-benzyl-1-(2-methoxyethylsulfonyl)-N-propan-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(2-methoxyethylsulfonyl)-N-propan-2-ylpiperidine-3-carboxamide
PubChem CID110335879
Molecular FormulaC19H30N2O4S
Molecular Weight382.53 g/mol
Exact Mass382.19
IUPAC NameN-benzyl-1-(2-methoxyethylsulfonyl)-N-propan-2-ylpiperidine-3-carboxamide
SMILESCOCCS(=O)(=O)N1CCCC(C(=O)N(Cc2ccccc2)C(C)C)C1
InChIInChI=1S/C19H30N2O4S/c1-16(2)21(14-17-8-5-4-6-9-17)19(22)18-10-7-11-20(15-18)26(23,24)13-12-25-3/h4-6,8-9,16,18H,7,10-15H2,1-3H3
InChIKeyUOSNNTUNGVAJTJ-UHFFFAOYSA-N
XLogP2.11
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-1-methylsulfonyl-N-propan-2-ylpiperidine-4-carboxamide
CID 110700192
(3R)-N,N-dimethyl-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 30384764
(3S)-N,N-dimethyl-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 30384770
3,4-dihydro-2H-quinolin-1-yl-[1-(2-methoxyethylsulfonyl)piperidin-3-yl]methanone
CID 110335894
N-[(2-chlorophenyl)methyl]-1-(2-methoxyethylsulfonyl)piperidine-3-carboxamide
CID 110335849
(3R)-N-[(4-chlorophenyl)methyl]-N-methyl-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 92683172
N-benzyl-5-piperidin-1-ylsulfonyl-N-propan-2-ylpentanamide
CID 110299822
(3R)-N-cyclopentyl-N-methyl-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 92680091
1-(2-methoxyethylsulfonyl)-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide
CID 110335932
(3R)-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 92675555
(3S)-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 92675556
1-(2-methoxyethylsulfonyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 110335855

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(2-methoxyethylsulfonyl)-N-propan-2-ylpiperidine-3-carboxamide?
The IUPAC name of N-benzyl-1-(2-methoxyethylsulfonyl)-N-propan-2-ylpiperidine-3-carboxamide (CID 110335879) is N-benzyl-1-(2-methoxyethylsulfonyl)-N-propan-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-benzyl-1-(2-methoxyethylsulfonyl)-N-propan-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N-benzyl-1-(2-methoxyethylsulfonyl)-N-propan-2-ylpiperidine-3-carboxamide is COCCS(=O)(=O)N1CCCC(C(=O)N(Cc2ccccc2)C(C)C)C1.
What is the InChIKey of N-benzyl-1-(2-methoxyethylsulfonyl)-N-propan-2-ylpiperidine-3-carboxamide?
The InChIKey is UOSNNTUNGVAJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4S/c1-16(2)21(14-17-8-5-4-6-9-17)19(22)18-10-7-11-20(15-18)26(23,24)13-12-25-3/h4-6,8-9,16,18H,7,10-15H2,1-3H3.
What are the key properties of N-benzyl-1-(2-methoxyethylsulfonyl)-N-propan-2-ylpiperidine-3-carboxamide?
N-benzyl-1-(2-methoxyethylsulfonyl)-N-propan-2-ylpiperidine-3-carboxamide has a molecular weight of 382.53 g/mol, XLogP of 2.11, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(2-methoxyethylsulfonyl)-N-propan-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 110335879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).