N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]-2-pyridin-2-ylsulfanylacetamide

C21H27N3OS — CID 45239167

IUPACN-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]-2-pyridin-2-ylsulfanylacetamide
SMILESCN(C(=O)CSc1ccccn1)C1CCCN(CCc2ccccc2)C1
InChIInChI=1S/C21H27N3OS/c1-23(21(25)17-26-20-11-5-6-13-22-20)19-10-7-14-24(16-19)15-12-18-8-3-2-4-9-18/h2-6,8-9,11,13,19H,7,10,12,14-17H2,1H3
InChIKeyCWAKYFARZFQXRZ-UHFFFAOYSA-N
MW369.53 g/mol
LogP3.34
Rot. Bonds7

About N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]-2-pyridin-2-ylsulfanylacetamide

N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]-2-pyridin-2-ylsulfanylacetamide (PubChem CID 45239167) has the molecular formula C21H27N3OS and a molecular weight of 369.53 g/mol. Its IUPAC name is N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]-2-pyridin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]-2-pyridin-2-ylsulfanylacetamide
PubChem CID45239167
Molecular FormulaC21H27N3OS
Molecular Weight369.53 g/mol
Exact Mass369.19
IUPAC NameN-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]-2-pyridin-2-ylsulfanylacetamide
SMILESCN(C(=O)CSc1ccccn1)C1CCCN(CCc2ccccc2)C1
InChIInChI=1S/C21H27N3OS/c1-23(21(25)17-26-20-11-5-6-13-22-20)19-10-7-14-24(16-19)15-12-18-8-3-2-4-9-18/h2-6,8-9,11,13,19H,7,10,12,14-17H2,1H3
InChIKeyCWAKYFARZFQXRZ-UHFFFAOYSA-N
XLogP3.34
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.53
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]-2-pyridin-2-ylsulfanylacetamide
CID 26403604
(E)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]-3-pyridin-2-ylprop-2-enamide
CID 45187894
N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-2-pyridin-2-ylsulfanylacetamide
CID 45197169
N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]pyridine-4-carboxamide
CID 45230724
2-(cyclohexen-1-yl)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]acetamide
CID 45198921
4-acetyl-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]benzamide
CID 45196763
(E)-N-methyl-3-(1-methylpyrazol-4-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]prop-2-enamide
CID 45169944
N-methyl-3-(4-oxoquinazolin-3-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide
CID 45241139
N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]butanamide
CID 45246349
N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]cyclopentene-1-carboxamide
CID 45191222
4-(4-methoxyphenyl)-N-methyl-4-oxo-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]butanamide
CID 26319728
3-(3,4-dimethoxyphenyl)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide
CID 45199254

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]-2-pyridin-2-ylsulfanylacetamide?
The IUPAC name of N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]-2-pyridin-2-ylsulfanylacetamide (CID 45239167) is N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]-2-pyridin-2-ylsulfanylacetamide.
What is the SMILES notation for N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]-2-pyridin-2-ylsulfanylacetamide?
The canonical SMILES for N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]-2-pyridin-2-ylsulfanylacetamide is CN(C(=O)CSc1ccccn1)C1CCCN(CCc2ccccc2)C1.
What is the InChIKey of N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]-2-pyridin-2-ylsulfanylacetamide?
The InChIKey is CWAKYFARZFQXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3OS/c1-23(21(25)17-26-20-11-5-6-13-22-20)19-10-7-14-24(16-19)15-12-18-8-3-2-4-9-18/h2-6,8-9,11,13,19H,7,10,12,14-17H2,1H3.
What are the key properties of N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]-2-pyridin-2-ylsulfanylacetamide?
N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]-2-pyridin-2-ylsulfanylacetamide has a molecular weight of 369.53 g/mol, XLogP of 3.34, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]-2-pyridin-2-ylsulfanylacetamide is sourced from PubChem (CID 45239167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).