N-[3-[1-[4-(4-methylphenyl)-4-oxobutyl]piperidin-4-yl]phenyl]acetamide

C24H30N2O2 — CID 16756403

IUPACN-[3-[1-[4-(4-methylphenyl)-4-oxobutyl]piperidin-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C2CCN(CCCC(=O)c3ccc(C)cc3)CC2)c1
InChIInChI=1S/C24H30N2O2/c1-18-8-10-21(11-9-18)24(28)7-4-14-26-15-12-20(13-16-26)22-5-3-6-23(17-22)25-19(2)27/h3,5-6,8-11,17,20H,4,7,12-16H2,1-2H3,(H,25,27)
InChIKeyMRSTZRHYYBFJBO-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.80
Rot. Bonds7

About N-[3-[1-[4-(4-methylphenyl)-4-oxobutyl]piperidin-4-yl]phenyl]acetamide

N-[3-[1-[4-(4-methylphenyl)-4-oxobutyl]piperidin-4-yl]phenyl]acetamide (PubChem CID 16756403) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-[3-[1-[4-(4-methylphenyl)-4-oxobutyl]piperidin-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-[4-(4-methylphenyl)-4-oxobutyl]piperidin-4-yl]phenyl]acetamide
PubChem CID16756403
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC NameN-[3-[1-[4-(4-methylphenyl)-4-oxobutyl]piperidin-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C2CCN(CCCC(=O)c3ccc(C)cc3)CC2)c1
InChIInChI=1S/C24H30N2O2/c1-18-8-10-21(11-9-18)24(28)7-4-14-26-15-12-20(13-16-26)22-5-3-6-23(17-22)25-19(2)27/h3,5-6,8-11,17,20H,4,7,12-16H2,1-2H3,(H,25,27)
InChIKeyMRSTZRHYYBFJBO-UHFFFAOYSA-N
XLogP4.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[4-(4-methylphenyl)-4-oxobutyl]piperidin-4-yl]phenyl]acetamide?
The IUPAC name of N-[3-[1-[4-(4-methylphenyl)-4-oxobutyl]piperidin-4-yl]phenyl]acetamide (CID 16756403) is N-[3-[1-[4-(4-methylphenyl)-4-oxobutyl]piperidin-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-[4-(4-methylphenyl)-4-oxobutyl]piperidin-4-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-[4-(4-methylphenyl)-4-oxobutyl]piperidin-4-yl]phenyl]acetamide is CC(=O)Nc1cccc(C2CCN(CCCC(=O)c3ccc(C)cc3)CC2)c1.
What is the InChIKey of N-[3-[1-[4-(4-methylphenyl)-4-oxobutyl]piperidin-4-yl]phenyl]acetamide?
The InChIKey is MRSTZRHYYBFJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-18-8-10-21(11-9-18)24(28)7-4-14-26-15-12-20(13-16-26)22-5-3-6-23(17-22)25-19(2)27/h3,5-6,8-11,17,20H,4,7,12-16H2,1-2H3,(H,25,27).
What are the key properties of N-[3-[1-[4-(4-methylphenyl)-4-oxobutyl]piperidin-4-yl]phenyl]acetamide?
N-[3-[1-[4-(4-methylphenyl)-4-oxobutyl]piperidin-4-yl]phenyl]acetamide has a molecular weight of 378.52 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[4-(4-methylphenyl)-4-oxobutyl]piperidin-4-yl]phenyl]acetamide is sourced from PubChem (CID 16756403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).