N-benzyl-N-methyl-3-[4-[(2-oxopiperidin-3-yl)methyl]phenyl]benzamide

C27H28N2O2 — CID 110253925

IUPACN-benzyl-N-methyl-3-[4-[(2-oxopiperidin-3-yl)methyl]phenyl]benzamide
SMILESCN(Cc1ccccc1)C(=O)c1cccc(-c2ccc(CC3CCCNC3=O)cc2)c1
InChIInChI=1S/C27H28N2O2/c1-29(19-21-7-3-2-4-8-21)27(31)25-10-5-9-23(18-25)22-14-12-20(13-15-22)17-24-11-6-16-28-26(24)30/h2-5,7-10,12-15,18,24H,6,11,16-17,19H2,1H3,(H,28,30)
InChIKeyRTLFKWVOSPUFOJ-UHFFFAOYSA-N
MW412.53 g/mol
LogP4.69
Rot. Bonds6

About N-benzyl-N-methyl-3-[4-[(2-oxopiperidin-3-yl)methyl]phenyl]benzamide

N-benzyl-N-methyl-3-[4-[(2-oxopiperidin-3-yl)methyl]phenyl]benzamide (PubChem CID 110253925) has the molecular formula C27H28N2O2 and a molecular weight of 412.53 g/mol. Its IUPAC name is N-benzyl-N-methyl-3-[4-[(2-oxopiperidin-3-yl)methyl]phenyl]benzamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-3-[4-[(2-oxopiperidin-3-yl)methyl]phenyl]benzamide
PubChem CID110253925
Molecular FormulaC27H28N2O2
Molecular Weight412.53 g/mol
Exact Mass412.22
IUPAC NameN-benzyl-N-methyl-3-[4-[(2-oxopiperidin-3-yl)methyl]phenyl]benzamide
SMILESCN(Cc1ccccc1)C(=O)c1cccc(-c2ccc(CC3CCCNC3=O)cc2)c1
InChIInChI=1S/C27H28N2O2/c1-29(19-21-7-3-2-4-8-21)27(31)25-10-5-9-23(18-25)22-14-12-20(13-15-22)17-24-11-6-16-28-26(24)30/h2-5,7-10,12-15,18,24H,6,11,16-17,19H2,1H3,(H,28,30)
InChIKeyRTLFKWVOSPUFOJ-UHFFFAOYSA-N
XLogP4.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-3-[4-[(2-oxopiperidin-3-yl)methyl]phenyl]benzamide
CID 110253955
3-[[4-[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]phenyl]methyl]piperidin-2-one
CID 110253921
N-[[3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]phenyl]methyl]-N-methyl-4-phenylbenzamide
CID 10029218
N-[[5-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]thiophen-3-yl]methyl]-N-methylbenzamide
CID 11282007
(3R)-3-[(4-fluorophenyl)methyl]piperidin-2-one
CID 93477738
(3S)-3-[(3-chlorophenyl)methyl]piperidin-2-one
CID 124592994
(3R)-3-[(3-fluorophenyl)methyl]piperidin-2-one
CID 124592992
N-benzyl-N-methyl-3-(1,3-thiazol-2-yl)benzamide
CID 110372097
N-benzyl-N-methyl-3-(2-phenylethoxy)benzamide
CID 17134261
1-benzyl-1-methyl-3-(2-oxoazepan-3-yl)urea
CID 47248762
(3R)-3-[(4-bromophenyl)methyl]piperidin-2-one
CID 124593006
3-[(3-methylphenyl)methyl]azepan-2-one
CID 104679648

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-3-[4-[(2-oxopiperidin-3-yl)methyl]phenyl]benzamide?
The IUPAC name of N-benzyl-N-methyl-3-[4-[(2-oxopiperidin-3-yl)methyl]phenyl]benzamide (CID 110253925) is N-benzyl-N-methyl-3-[4-[(2-oxopiperidin-3-yl)methyl]phenyl]benzamide.
What is the SMILES notation for N-benzyl-N-methyl-3-[4-[(2-oxopiperidin-3-yl)methyl]phenyl]benzamide?
The canonical SMILES for N-benzyl-N-methyl-3-[4-[(2-oxopiperidin-3-yl)methyl]phenyl]benzamide is CN(Cc1ccccc1)C(=O)c1cccc(-c2ccc(CC3CCCNC3=O)cc2)c1.
What is the InChIKey of N-benzyl-N-methyl-3-[4-[(2-oxopiperidin-3-yl)methyl]phenyl]benzamide?
The InChIKey is RTLFKWVOSPUFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O2/c1-29(19-21-7-3-2-4-8-21)27(31)25-10-5-9-23(18-25)22-14-12-20(13-15-22)17-24-11-6-16-28-26(24)30/h2-5,7-10,12-15,18,24H,6,11,16-17,19H2,1H3,(H,28,30).
What are the key properties of N-benzyl-N-methyl-3-[4-[(2-oxopiperidin-3-yl)methyl]phenyl]benzamide?
N-benzyl-N-methyl-3-[4-[(2-oxopiperidin-3-yl)methyl]phenyl]benzamide has a molecular weight of 412.53 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-3-[4-[(2-oxopiperidin-3-yl)methyl]phenyl]benzamide is sourced from PubChem (CID 110253925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).