N-[[(3S)-1-[(2-methylnaphthalen-1-yl)methyl]piperidin-3-yl]methyl]acetamide

C20H26N2O — CID 95199453

IUPACN-[[(3S)-1-[(2-methylnaphthalen-1-yl)methyl]piperidin-3-yl]methyl]acetamide
SMILESCC(=O)NC[C@@H]1CCCN(Cc2c(C)ccc3ccccc23)C1
InChIInChI=1S/C20H26N2O/c1-15-9-10-18-7-3-4-8-19(18)20(15)14-22-11-5-6-17(13-22)12-21-16(2)23/h3-4,7-10,17H,5-6,11-14H2,1-2H3,(H,21,23)/t17-/m0/s1
InChIKeyCFOUIWMYGRZAQO-KRWDZBQOSA-N
MW310.44 g/mol
LogP3.50
Rot. Bonds4

About N-[[(3S)-1-[(2-methylnaphthalen-1-yl)methyl]piperidin-3-yl]methyl]acetamide

N-[[(3S)-1-[(2-methylnaphthalen-1-yl)methyl]piperidin-3-yl]methyl]acetamide (PubChem CID 95199453) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is N-[[(3S)-1-[(2-methylnaphthalen-1-yl)methyl]piperidin-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(3S)-1-[(2-methylnaphthalen-1-yl)methyl]piperidin-3-yl]methyl]acetamide
PubChem CID95199453
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC NameN-[[(3S)-1-[(2-methylnaphthalen-1-yl)methyl]piperidin-3-yl]methyl]acetamide
SMILESCC(=O)NC[C@@H]1CCCN(Cc2c(C)ccc3ccccc23)C1
InChIInChI=1S/C20H26N2O/c1-15-9-10-18-7-3-4-8-19(18)20(15)14-22-11-5-6-17(13-22)12-21-16(2)23/h3-4,7-10,17H,5-6,11-14H2,1-2H3,(H,21,23)/t17-/m0/s1
InChIKeyCFOUIWMYGRZAQO-KRWDZBQOSA-N
XLogP3.50
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-benzylpiperidin-3-yl)methyl]acetamide
CID 10444612
N-[[(3S)-1-[(2-propan-2-yloxyphenyl)methyl]piperidin-3-yl]methyl]acetamide
CID 95187363
N-[[1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]methyl]acetamide
CID 56709700
6,7-dimethyl-2-[[1-[(2-methylnaphthalen-1-yl)methyl]piperidin-3-yl]methyl]-3,4-dihydroisoquinolin-1-one
CID 19803748
N-[[(3R)-1-[[4-(methylsulfamoyl)phenyl]methyl]piperidin-3-yl]methyl]acetamide
CID 95219246
N-[[1-[(2-methylphenyl)methyl]piperidin-3-yl]methyl]ethanamine
CID 54793885
N-[[(3S)-1-(2-methylpropyl)piperidin-3-yl]methyl]acetamide
CID 95187387
N-[[(3S)-1-(2,2-dimethylpropyl)piperidin-3-yl]methyl]acetamide
CID 58877734
N-[[(3S)-1-[[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]methyl]acetamide
CID 97237498
1-ethyl-3-[[(3R)-1-[(2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]methyl]urea
CID 95198921
1-ethyl-3-[[(3S)-1-[(2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]methyl]urea
CID 95198920
N-[[(3S)-1-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]acetamide
CID 97085545

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-[(2-methylnaphthalen-1-yl)methyl]piperidin-3-yl]methyl]acetamide?
The IUPAC name of N-[[(3S)-1-[(2-methylnaphthalen-1-yl)methyl]piperidin-3-yl]methyl]acetamide (CID 95199453) is N-[[(3S)-1-[(2-methylnaphthalen-1-yl)methyl]piperidin-3-yl]methyl]acetamide.
What is the SMILES notation for N-[[(3S)-1-[(2-methylnaphthalen-1-yl)methyl]piperidin-3-yl]methyl]acetamide?
The canonical SMILES for N-[[(3S)-1-[(2-methylnaphthalen-1-yl)methyl]piperidin-3-yl]methyl]acetamide is CC(=O)NC[C@@H]1CCCN(Cc2c(C)ccc3ccccc23)C1.
What is the InChIKey of N-[[(3S)-1-[(2-methylnaphthalen-1-yl)methyl]piperidin-3-yl]methyl]acetamide?
The InChIKey is CFOUIWMYGRZAQO-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H26N2O/c1-15-9-10-18-7-3-4-8-19(18)20(15)14-22-11-5-6-17(13-22)12-21-16(2)23/h3-4,7-10,17H,5-6,11-14H2,1-2H3,(H,21,23)/t17-/m0/s1.
What are the key properties of N-[[(3S)-1-[(2-methylnaphthalen-1-yl)methyl]piperidin-3-yl]methyl]acetamide?
N-[[(3S)-1-[(2-methylnaphthalen-1-yl)methyl]piperidin-3-yl]methyl]acetamide has a molecular weight of 310.44 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-[(2-methylnaphthalen-1-yl)methyl]piperidin-3-yl]methyl]acetamide is sourced from PubChem (CID 95199453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).