N-[4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]acetamide

C16H24N2O — CID 26458271

IUPACN-[4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN2C[C@H](C)C[C@H](C)C2)cc1
InChIInChI=1S/C16H24N2O/c1-12-8-13(2)10-18(9-12)11-15-4-6-16(7-5-15)17-14(3)19/h4-7,12-13H,8-11H2,1-3H3,(H,17,19)/t12-,13+
InChIKeyZSGCUQCCWBAKED-BETUJISGSA-N
MW260.38 g/mol
LogP3.12
Rot. Bonds3

About N-[4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]acetamide

N-[4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]acetamide (PubChem CID 26458271) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]acetamide
PubChem CID26458271
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-[4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN2C[C@H](C)C[C@H](C)C2)cc1
InChIInChI=1S/C16H24N2O/c1-12-8-13(2)10-18(9-12)11-15-4-6-16(7-5-15)17-14(3)19/h4-7,12-13H,8-11H2,1-3H3,(H,17,19)/t12-,13+
InChIKeyZSGCUQCCWBAKED-BETUJISGSA-N
XLogP3.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3,5-dimethylpiperidin-1-yl)methyl]phenol
CID 79015530
4-(cyclopropanecarbonylamino)-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 60515869
cis-(1S,2R)-N-[[4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]-2-methylcyclopropane-1-carboxamide
CID 99845322
N-[4-[(3-methyl-4-propan-2-ylpiperazin-1-yl)methyl]phenyl]acetamide
CID 50968007
N-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]acetamide;hydrochloride
CID 118025180
N-[4-[(3-piperazin-1-ylazetidin-1-yl)methyl]phenyl]acetamide
CID 66203384
N-[4-[[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]methyl]phenyl]acetamide
CID 3793854
N-[4-[(2S)-3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide
CID 51422964
N-[4-(aminomethyl)phenyl]-3-(3,5-dimethylpiperidin-1-yl)propanamide
CID 16784105
3-acetamido-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]benzamide
CID 55729046
N-[4-[4-(3,5-dimethylpiperidin-1-yl)-1-[(4-methylphenyl)methyl]-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110562357
N-[4-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]sulfamoyl]phenyl]acetamide
CID 108782317

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]acetamide (CID 26458271) is N-[4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]acetamide is CC(=O)Nc1ccc(CN2C[C@H](C)C[C@H](C)C2)cc1.
What is the InChIKey of N-[4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]acetamide?
The InChIKey is ZSGCUQCCWBAKED-BETUJISGSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12-8-13(2)10-18(9-12)11-15-4-6-16(7-5-15)17-14(3)19/h4-7,12-13H,8-11H2,1-3H3,(H,17,19)/t12-,13+.
What are the key properties of N-[4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]acetamide?
N-[4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]acetamide has a molecular weight of 260.38 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 26458271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).