N-[(1S)-3-methyl-1-(2-piperidin-1-ylphenyl)butyl]acetamide

C18H28N2O — CID 10589467

IUPACN-[(1S)-3-methyl-1-(2-piperidin-1-ylphenyl)butyl]acetamide
SMILESCC(=O)N[C@@H](CC(C)C)c1ccccc1N1CCCCC1
InChIInChI=1S/C18H28N2O/c1-14(2)13-17(19-15(3)21)16-9-5-6-10-18(16)20-11-7-4-8-12-20/h5-6,9-10,14,17H,4,7-8,11-13H2,1-3H3,(H,19,21)/t17-/m0/s1
InChIKeyRIXRRTBUZCYDFW-KRWDZBQOSA-N
MW288.44 g/mol
LogP3.90
Rot. Bonds5

About N-[(1S)-3-methyl-1-(2-piperidin-1-ylphenyl)butyl]acetamide

N-[(1S)-3-methyl-1-(2-piperidin-1-ylphenyl)butyl]acetamide (PubChem CID 10589467) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[(1S)-3-methyl-1-(2-piperidin-1-ylphenyl)butyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-3-methyl-1-(2-piperidin-1-ylphenyl)butyl]acetamide
PubChem CID10589467
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-[(1S)-3-methyl-1-(2-piperidin-1-ylphenyl)butyl]acetamide
SMILESCC(=O)N[C@@H](CC(C)C)c1ccccc1N1CCCCC1
InChIInChI=1S/C18H28N2O/c1-14(2)13-17(19-15(3)21)16-9-5-6-10-18(16)20-11-7-4-8-12-20/h5-6,9-10,14,17H,4,7-8,11-13H2,1-3H3,(H,19,21)/t17-/m0/s1
InChIKeyRIXRRTBUZCYDFW-KRWDZBQOSA-N
XLogP3.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-4-[3-[[(1S)-3-methyl-1-(2-piperidin-1-ylphenyl)butyl]amino]-3-oxopropyl]benzoic acid
CID 143560523
2-methyl-2-[4-[2-[[3-methyl-1-(2-piperidin-1-ylphenyl)butyl]amino]-2-oxoethyl]phenoxy]-N-methylsulfonylpropanamide
CID 58625265
1-[(1S)-1-phenylethyl]-3-[(1S)-1-(2-piperidin-1-ylphenyl)butyl]urea
CID 10595902
1-[2-(azepan-1-yl)phenyl]-N-ethylpropan-1-amine
CID 112677754
(1R)-1-[2-(azocan-1-yl)phenyl]ethanamine
CID 28801549
1-[2-(azepan-1-yl)phenyl]ethanamine
CID 10680362
3-amino-3-(2-piperidin-1-ylphenyl)propanoic acid
CID 117374279
1-(2-propan-2-ylphenyl)pyrrolidine
CID 10607693
2-[4-[2-oxo-2-[1-(2-piperidin-1-ylphenyl)butylamino]ethyl]phenyl]acetic acid
CID 54544553
4-[2-[1-[2-(azonan-1-yl)phenyl]ethylamino]-2-oxoethyl]benzoic acid
CID 10501610
1-[2-(azepan-1-yl)phenyl]-N-propylpropan-1-amine
CID 115994785
N-[(3R)-3-methyl-4-(2-piperidin-1-ylphenyl)butyl]acetamide
CID 67827033

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-3-methyl-1-(2-piperidin-1-ylphenyl)butyl]acetamide?
The IUPAC name of N-[(1S)-3-methyl-1-(2-piperidin-1-ylphenyl)butyl]acetamide (CID 10589467) is N-[(1S)-3-methyl-1-(2-piperidin-1-ylphenyl)butyl]acetamide.
What is the SMILES notation for N-[(1S)-3-methyl-1-(2-piperidin-1-ylphenyl)butyl]acetamide?
The canonical SMILES for N-[(1S)-3-methyl-1-(2-piperidin-1-ylphenyl)butyl]acetamide is CC(=O)N[C@@H](CC(C)C)c1ccccc1N1CCCCC1.
What is the InChIKey of N-[(1S)-3-methyl-1-(2-piperidin-1-ylphenyl)butyl]acetamide?
The InChIKey is RIXRRTBUZCYDFW-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H28N2O/c1-14(2)13-17(19-15(3)21)16-9-5-6-10-18(16)20-11-7-4-8-12-20/h5-6,9-10,14,17H,4,7-8,11-13H2,1-3H3,(H,19,21)/t17-/m0/s1.
What are the key properties of N-[(1S)-3-methyl-1-(2-piperidin-1-ylphenyl)butyl]acetamide?
N-[(1S)-3-methyl-1-(2-piperidin-1-ylphenyl)butyl]acetamide has a molecular weight of 288.44 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-3-methyl-1-(2-piperidin-1-ylphenyl)butyl]acetamide is sourced from PubChem (CID 10589467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).