N-(1-butylpiperidin-4-yl)-2-piperidin-4-ylsulfanylacetamide

C16H31N3OS — CID 114626700

IUPACN-(1-butylpiperidin-4-yl)-2-piperidin-4-ylsulfanylacetamide
SMILESCCCCN1CCC(NC(=O)CSC2CCNCC2)CC1
InChIInChI=1S/C16H31N3OS/c1-2-3-10-19-11-6-14(7-12-19)18-16(20)13-21-15-4-8-17-9-5-15/h14-15,17H,2-13H2,1H3,(H,18,20)
InChIKeyJKISFQWYBACXRE-UHFFFAOYSA-N
MW313.51 g/mol
LogP1.85
Rot. Bonds7

About N-(1-butylpiperidin-4-yl)-2-piperidin-4-ylsulfanylacetamide

N-(1-butylpiperidin-4-yl)-2-piperidin-4-ylsulfanylacetamide (PubChem CID 114626700) has the molecular formula C16H31N3OS and a molecular weight of 313.51 g/mol. Its IUPAC name is N-(1-butylpiperidin-4-yl)-2-piperidin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(1-butylpiperidin-4-yl)-2-piperidin-4-ylsulfanylacetamide
PubChem CID114626700
Molecular FormulaC16H31N3OS
Molecular Weight313.51 g/mol
Exact Mass313.22
IUPAC NameN-(1-butylpiperidin-4-yl)-2-piperidin-4-ylsulfanylacetamide
SMILESCCCCN1CCC(NC(=O)CSC2CCNCC2)CC1
InChIInChI=1S/C16H31N3OS/c1-2-3-10-19-11-6-14(7-12-19)18-16(20)13-21-15-4-8-17-9-5-15/h14-15,17H,2-13H2,1H3,(H,18,20)
InChIKeyJKISFQWYBACXRE-UHFFFAOYSA-N
XLogP1.85
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.51
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(1-butylpiperidin-4-yl)acetamide
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N-(1-butylpiperidin-4-yl)-4-hydroxypentanamide
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1-pentadecyl-N-piperidin-4-ylpiperidin-4-amine
CID 11641883
2-piperidin-4-ylsulfanyl-N-propylsulfonylacetamide
CID 103307451
N-(1-butylpiperidin-4-yl)-2,2-difluoroacetamide
CID 103515070
5-[(1-butylpiperidin-4-yl)amino]-3,3-dimethyl-5-oxopentanoic acid
CID 62935081
N-hydroxy-2-piperidin-4-ylsulfanylacetamide
CID 114627599
N-(1-butylpiperidin-4-yl)-4-(hydroxymethyl)piperidine-1-carboxamide
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N-(2,2-dimethyloxan-4-yl)-2-piperidin-4-ylsulfanylacetamide
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CID 64561841

Frequently Asked Questions

What is the IUPAC name of N-(1-butylpiperidin-4-yl)-2-piperidin-4-ylsulfanylacetamide?
The IUPAC name of N-(1-butylpiperidin-4-yl)-2-piperidin-4-ylsulfanylacetamide (CID 114626700) is N-(1-butylpiperidin-4-yl)-2-piperidin-4-ylsulfanylacetamide.
What is the SMILES notation for N-(1-butylpiperidin-4-yl)-2-piperidin-4-ylsulfanylacetamide?
The canonical SMILES for N-(1-butylpiperidin-4-yl)-2-piperidin-4-ylsulfanylacetamide is CCCCN1CCC(NC(=O)CSC2CCNCC2)CC1.
What is the InChIKey of N-(1-butylpiperidin-4-yl)-2-piperidin-4-ylsulfanylacetamide?
The InChIKey is JKISFQWYBACXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3OS/c1-2-3-10-19-11-6-14(7-12-19)18-16(20)13-21-15-4-8-17-9-5-15/h14-15,17H,2-13H2,1H3,(H,18,20).
What are the key properties of N-(1-butylpiperidin-4-yl)-2-piperidin-4-ylsulfanylacetamide?
N-(1-butylpiperidin-4-yl)-2-piperidin-4-ylsulfanylacetamide has a molecular weight of 313.51 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butylpiperidin-4-yl)-2-piperidin-4-ylsulfanylacetamide is sourced from PubChem (CID 114626700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).