N-benzyl-2-piperidin-4-ylsulfanyl-N-propylacetamide

C17H26N2OS — CID 114626653

IUPACN-benzyl-2-piperidin-4-ylsulfanyl-N-propylacetamide
SMILESCCCN(Cc1ccccc1)C(=O)CSC1CCNCC1
InChIInChI=1S/C17H26N2OS/c1-2-12-19(13-15-6-4-3-5-7-15)17(20)14-21-16-8-10-18-11-9-16/h3-7,16,18H,2,8-14H2,1H3
InChIKeyYBINFBVISQGZBO-UHFFFAOYSA-N
MW306.47 g/mol
LogP2.91
Rot. Bonds7

About N-benzyl-2-piperidin-4-ylsulfanyl-N-propylacetamide

N-benzyl-2-piperidin-4-ylsulfanyl-N-propylacetamide (PubChem CID 114626653) has the molecular formula C17H26N2OS and a molecular weight of 306.47 g/mol. Its IUPAC name is N-benzyl-2-piperidin-4-ylsulfanyl-N-propylacetamide.

Molecular Properties

Compound NameN-benzyl-2-piperidin-4-ylsulfanyl-N-propylacetamide
PubChem CID114626653
Molecular FormulaC17H26N2OS
Molecular Weight306.47 g/mol
Exact Mass306.18
IUPAC NameN-benzyl-2-piperidin-4-ylsulfanyl-N-propylacetamide
SMILESCCCN(Cc1ccccc1)C(=O)CSC1CCNCC1
InChIInChI=1S/C17H26N2OS/c1-2-12-19(13-15-6-4-3-5-7-15)17(20)14-21-16-8-10-18-11-9-16/h3-7,16,18H,2,8-14H2,1H3
InChIKeyYBINFBVISQGZBO-UHFFFAOYSA-N
XLogP2.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-(cyanomethyl)-2-piperidin-4-ylsulfanylacetamide
CID 114627134
N-methyl-N-(2-phenylethyl)-2-piperidin-4-ylsulfanylacetamide
CID 114627017
N,N-dibenzyl-2-piperidin-4-ylacetamide
CID 119669950
N-benzyl-2-morpholin-2-yl-N-propylacetamide
CID 66433391
N-benzyl-2-(4-fluorophenyl)sulfanyl-N-propylacetamide
CID 134028397
2-phenyl-N-(piperidin-4-ylmethyl)-N-propylacetamide
CID 79720329
1-N-benzyl-1-N-ethyl-4-N,4-N-dipropylcyclohexane-1,4-dicarboxamide
CID 109148640
(3S)-N-benzyl-N-propylpiperidine-3-carboxamide
CID 81123216
2-[methyl-(2-piperidin-4-ylsulfanylacetyl)amino]benzoic acid
CID 114627152
N-benzyl-N-propylpiperidine-3-carboxamide
CID 43588657
3-phenyl-N-(piperidin-4-ylmethyl)-N-propylpropanamide
CID 79701291
N-benzyl-N-ethyl-N',N'-dipropylpropanediamide
CID 108947326

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-piperidin-4-ylsulfanyl-N-propylacetamide?
The IUPAC name of N-benzyl-2-piperidin-4-ylsulfanyl-N-propylacetamide (CID 114626653) is N-benzyl-2-piperidin-4-ylsulfanyl-N-propylacetamide.
What is the SMILES notation for N-benzyl-2-piperidin-4-ylsulfanyl-N-propylacetamide?
The canonical SMILES for N-benzyl-2-piperidin-4-ylsulfanyl-N-propylacetamide is CCCN(Cc1ccccc1)C(=O)CSC1CCNCC1.
What is the InChIKey of N-benzyl-2-piperidin-4-ylsulfanyl-N-propylacetamide?
The InChIKey is YBINFBVISQGZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-2-12-19(13-15-6-4-3-5-7-15)17(20)14-21-16-8-10-18-11-9-16/h3-7,16,18H,2,8-14H2,1H3.
What are the key properties of N-benzyl-2-piperidin-4-ylsulfanyl-N-propylacetamide?
N-benzyl-2-piperidin-4-ylsulfanyl-N-propylacetamide has a molecular weight of 306.47 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-piperidin-4-ylsulfanyl-N-propylacetamide is sourced from PubChem (CID 114626653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).