2-amino-N-[[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]methyl]acetamide

C16H25N3OS — CID 18426261

IUPAC2-amino-N-[[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]methyl]acetamide
SMILESCSc1ccc(CN2CCC(CNC(=O)CN)CC2)cc1
InChIInChI=1S/C16H25N3OS/c1-21-15-4-2-14(3-5-15)12-19-8-6-13(7-9-19)11-18-16(20)10-17/h2-5,13H,6-12,17H2,1H3,(H,18,20)
InChIKeyUFLDVAWZMBIPDF-UHFFFAOYSA-N
MW307.46 g/mol
LogP1.70
Rot. Bonds6

About 2-amino-N-[[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]methyl]acetamide

2-amino-N-[[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]methyl]acetamide (PubChem CID 18426261) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is 2-amino-N-[[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]methyl]acetamide
PubChem CID18426261
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC Name2-amino-N-[[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]methyl]acetamide
SMILESCSc1ccc(CN2CCC(CNC(=O)CN)CC2)cc1
InChIInChI=1S/C16H25N3OS/c1-21-15-4-2-14(3-5-15)12-19-8-6-13(7-9-19)11-18-16(20)10-17/h2-5,13H,6-12,17H2,1H3,(H,18,20)
InChIKeyUFLDVAWZMBIPDF-UHFFFAOYSA-N
XLogP1.70
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]acetamide
CID 96553008
2-amino-N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]acetamide
CID 96553009
2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]acetamide
CID 66565184
2-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]acetamide;dihydrochloride
CID 119879595
2-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 119865468
N-[(1-benzylpiperidin-4-yl)methyl]-N'-(3-methylsulfanylphenyl)oxamide
CID 16886848
(2S)-N-[[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]methyl]-2-(phenylcarbamoylamino)pentanediamide
CID 508959
N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 16895674
ethane;4-methyl-1-[(4-methylsulfanylphenyl)methyl]piperidine
CID 145130487
2-amino-N-[[(3S)-1-benzylpiperidin-3-yl]methyl]acetamide
CID 96553013
2-amino-N-[(1-propylpiperidin-4-yl)methyl]acetamide;dihydrochloride
CID 119861461
(2S)-2-amino-N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-hydroxypropanamide
CID 69214587

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]methyl]acetamide?
The IUPAC name of 2-amino-N-[[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]methyl]acetamide (CID 18426261) is 2-amino-N-[[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for 2-amino-N-[[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]methyl]acetamide?
The canonical SMILES for 2-amino-N-[[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]methyl]acetamide is CSc1ccc(CN2CCC(CNC(=O)CN)CC2)cc1.
What is the InChIKey of 2-amino-N-[[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]methyl]acetamide?
The InChIKey is UFLDVAWZMBIPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3OS/c1-21-15-4-2-14(3-5-15)12-19-8-6-13(7-9-19)11-18-16(20)10-17/h2-5,13H,6-12,17H2,1H3,(H,18,20).
What are the key properties of 2-amino-N-[[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]methyl]acetamide?
2-amino-N-[[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]methyl]acetamide has a molecular weight of 307.46 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 18426261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).