N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-4-oxo-4-phenylbutanamide

C25H32N2O2 — CID 55742680

IUPACN-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-4-oxo-4-phenylbutanamide
SMILESCC1CC(C)CN(Cc2ccc(CNC(=O)CCC(=O)c3ccccc3)cc2)C1
InChIInChI=1S/C25H32N2O2/c1-19-14-20(2)17-27(16-19)18-22-10-8-21(9-11-22)15-26-25(29)13-12-24(28)23-6-4-3-5-7-23/h3-11,19-20H,12-18H2,1-2H3,(H,26,29)
InChIKeyQNJFAXSUGVNHHA-UHFFFAOYSA-N
MW392.54 g/mol
LogP4.44
Rot. Bonds8

About N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-4-oxo-4-phenylbutanamide

N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-4-oxo-4-phenylbutanamide (PubChem CID 55742680) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-4-oxo-4-phenylbutanamide.

Molecular Properties

Compound NameN-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-4-oxo-4-phenylbutanamide
PubChem CID55742680
Molecular FormulaC25H32N2O2
Molecular Weight392.54 g/mol
Exact Mass392.25
IUPAC NameN-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-4-oxo-4-phenylbutanamide
SMILESCC1CC(C)CN(Cc2ccc(CNC(=O)CCC(=O)c3ccccc3)cc2)C1
InChIInChI=1S/C25H32N2O2/c1-19-14-20(2)17-27(16-19)18-22-10-8-21(9-11-22)15-26-25(29)13-12-24(28)23-6-4-3-5-7-23/h3-11,19-20H,12-18H2,1-2H3,(H,26,29)
InChIKeyQNJFAXSUGVNHHA-UHFFFAOYSA-N
XLogP4.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-N-[3-[[4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 100853179
4-oxo-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-4-phenylbutanamide
CID 47071053
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 60515754
cis-(1S,2R)-N-[[4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]-2-methylcyclopropane-1-carboxamide
CID 99845322
3-amino-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 119848746
2-cyclopentyloxy-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 60515116
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]oxolane-2-carboxamide
CID 47042015
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 60515902
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3,4,5-trimethoxybenzamide
CID 55742851
3-acetamido-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3-thiophen-2-ylpropanamide
CID 47042062
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 55845388
N-[[4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]-2-ethylsulfonylbenzamide
CID 52628153

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-4-oxo-4-phenylbutanamide?
The IUPAC name of N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-4-oxo-4-phenylbutanamide (CID 55742680) is N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-4-oxo-4-phenylbutanamide.
What is the SMILES notation for N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-4-oxo-4-phenylbutanamide?
The canonical SMILES for N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-4-oxo-4-phenylbutanamide is CC1CC(C)CN(Cc2ccc(CNC(=O)CCC(=O)c3ccccc3)cc2)C1.
What is the InChIKey of N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-4-oxo-4-phenylbutanamide?
The InChIKey is QNJFAXSUGVNHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O2/c1-19-14-20(2)17-27(16-19)18-22-10-8-21(9-11-22)15-26-25(29)13-12-24(28)23-6-4-3-5-7-23/h3-11,19-20H,12-18H2,1-2H3,(H,26,29).
What are the key properties of N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-4-oxo-4-phenylbutanamide?
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-4-oxo-4-phenylbutanamide has a molecular weight of 392.54 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-4-oxo-4-phenylbutanamide is sourced from PubChem (CID 55742680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).