N-methyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-oxo-4-phenylbutanamide

C18H26N2O2 — CID 95208686

IUPACN-methyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-oxo-4-phenylbutanamide
SMILESCN1CCC[C@@H](CN(C)C(=O)CCC(=O)c2ccccc2)C1
InChIInChI=1S/C18H26N2O2/c1-19-12-6-7-15(13-19)14-20(2)18(22)11-10-17(21)16-8-4-3-5-9-16/h3-5,8-9,15H,6-7,10-14H2,1-2H3/t15-/m1/s1
InChIKeySJRBQSORQHOGSK-OAHLLOKOSA-N
MW302.42 g/mol
LogP2.45
Rot. Bonds6

About N-methyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-oxo-4-phenylbutanamide

N-methyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-oxo-4-phenylbutanamide (PubChem CID 95208686) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-methyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-oxo-4-phenylbutanamide.

Molecular Properties

Compound NameN-methyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-oxo-4-phenylbutanamide
PubChem CID95208686
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-methyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-oxo-4-phenylbutanamide
SMILESCN1CCC[C@@H](CN(C)C(=O)CCC(=O)c2ccccc2)C1
InChIInChI=1S/C18H26N2O2/c1-19-12-6-7-15(13-19)14-20(2)18(22)11-10-17(21)16-8-4-3-5-9-16/h3-5,8-9,15H,6-7,10-14H2,1-2H3/t15-/m1/s1
InChIKeySJRBQSORQHOGSK-OAHLLOKOSA-N
XLogP2.45
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-aminophenyl)-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]propanamide
CID 120612535
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 63373062
(2R)-2-amino-N-methyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]-2-phenylacetamide
CID 125147227
2-amino-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-2-phenylacetamide
CID 119855554
3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1-phenylpropan-1-one
CID 63236356
N-methyl-N-(1-methylpiperidin-4-yl)-3-[1-(4-oxo-4-phenylbutanoyl)piperidin-3-yl]propanamide
CID 45168903
2-amino-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide;dihydrochloride
CID 119946678
1-methyl-1-[(1-methylpiperidin-3-yl)methyl]urea
CID 115168460
N'-[[(3S)-1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N,N,N'-trimethylbutanediamide
CID 42287360
N'-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N,N,N'-trimethylbutanediamide
CID 23723725
N-methyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]methyl]-4-phenylbutanamide
CID 45178746
2-amino-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-phenylpropanamide
CID 63273840

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-oxo-4-phenylbutanamide?
The IUPAC name of N-methyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-oxo-4-phenylbutanamide (CID 95208686) is N-methyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-oxo-4-phenylbutanamide.
What is the SMILES notation for N-methyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-oxo-4-phenylbutanamide?
The canonical SMILES for N-methyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-oxo-4-phenylbutanamide is CN1CCC[C@@H](CN(C)C(=O)CCC(=O)c2ccccc2)C1.
What is the InChIKey of N-methyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-oxo-4-phenylbutanamide?
The InChIKey is SJRBQSORQHOGSK-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-19-12-6-7-15(13-19)14-20(2)18(22)11-10-17(21)16-8-4-3-5-9-16/h3-5,8-9,15H,6-7,10-14H2,1-2H3/t15-/m1/s1.
What are the key properties of N-methyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-oxo-4-phenylbutanamide?
N-methyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-oxo-4-phenylbutanamide has a molecular weight of 302.42 g/mol, XLogP of 2.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-oxo-4-phenylbutanamide is sourced from PubChem (CID 95208686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).