N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-3-[4-[(2-oxopiperidin-3-yl)methyl]phenyl]benzamide

C27H35N3O2 — CID 110253955

IUPACN-methyl-N-[(1-methylpiperidin-4-yl)methyl]-3-[4-[(2-oxopiperidin-3-yl)methyl]phenyl]benzamide
SMILESCN1CCC(CN(C)C(=O)c2cccc(-c3ccc(CC4CCCNC4=O)cc3)c2)CC1
InChIInChI=1S/C27H35N3O2/c1-29-15-12-21(13-16-29)19-30(2)27(32)25-6-3-5-23(18-25)22-10-8-20(9-11-22)17-24-7-4-14-28-26(24)31/h3,5-6,8-11,18,21,24H,4,7,12-17,19H2,1-2H3,(H,28,31)
InChIKeyFAIVRKZPNGLAJI-UHFFFAOYSA-N
MW433.60 g/mol
LogP3.84
Rot. Bonds6

About N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-3-[4-[(2-oxopiperidin-3-yl)methyl]phenyl]benzamide

N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-3-[4-[(2-oxopiperidin-3-yl)methyl]phenyl]benzamide (PubChem CID 110253955) has the molecular formula C27H35N3O2 and a molecular weight of 433.60 g/mol. Its IUPAC name is N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-3-[4-[(2-oxopiperidin-3-yl)methyl]phenyl]benzamide.

Molecular Properties

Compound NameN-methyl-N-[(1-methylpiperidin-4-yl)methyl]-3-[4-[(2-oxopiperidin-3-yl)methyl]phenyl]benzamide
PubChem CID110253955
Molecular FormulaC27H35N3O2
Molecular Weight433.60 g/mol
Exact Mass433.27
IUPAC NameN-methyl-N-[(1-methylpiperidin-4-yl)methyl]-3-[4-[(2-oxopiperidin-3-yl)methyl]phenyl]benzamide
SMILESCN1CCC(CN(C)C(=O)c2cccc(-c3ccc(CC4CCCNC4=O)cc3)c2)CC1
InChIInChI=1S/C27H35N3O2/c1-29-15-12-21(13-16-29)19-30(2)27(32)25-6-3-5-23(18-25)22-10-8-20(9-11-22)17-24-7-4-14-28-26(24)31/h3,5-6,8-11,18,21,24H,4,7,12-17,19H2,1-2H3,(H,28,31)
InChIKeyFAIVRKZPNGLAJI-UHFFFAOYSA-N
XLogP3.84
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.60
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-methyl-3-[4-[(2-oxopiperidin-3-yl)methyl]phenyl]benzamide
CID 110253925
3-[[4-[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]phenyl]methyl]piperidin-2-one
CID 110253921
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-sulfanylbenzamide
CID 107029608
4-fluoro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 63236434
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 63373062
3-hydroxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 55170280
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103765252
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-indole-6-carboxamide
CID 63373207
4-(chloromethyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 63275957
4-isocyano-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 123896887
(3R)-3-[(4-fluorophenyl)methyl]piperidin-2-one
CID 93477738
6-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]pyridine-2-carboxylic acid
CID 63235015

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-3-[4-[(2-oxopiperidin-3-yl)methyl]phenyl]benzamide?
The IUPAC name of N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-3-[4-[(2-oxopiperidin-3-yl)methyl]phenyl]benzamide (CID 110253955) is N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-3-[4-[(2-oxopiperidin-3-yl)methyl]phenyl]benzamide.
What is the SMILES notation for N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-3-[4-[(2-oxopiperidin-3-yl)methyl]phenyl]benzamide?
The canonical SMILES for N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-3-[4-[(2-oxopiperidin-3-yl)methyl]phenyl]benzamide is CN1CCC(CN(C)C(=O)c2cccc(-c3ccc(CC4CCCNC4=O)cc3)c2)CC1.
What is the InChIKey of N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-3-[4-[(2-oxopiperidin-3-yl)methyl]phenyl]benzamide?
The InChIKey is FAIVRKZPNGLAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O2/c1-29-15-12-21(13-16-29)19-30(2)27(32)25-6-3-5-23(18-25)22-10-8-20(9-11-22)17-24-7-4-14-28-26(24)31/h3,5-6,8-11,18,21,24H,4,7,12-17,19H2,1-2H3,(H,28,31).
What are the key properties of N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-3-[4-[(2-oxopiperidin-3-yl)methyl]phenyl]benzamide?
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-3-[4-[(2-oxopiperidin-3-yl)methyl]phenyl]benzamide has a molecular weight of 433.60 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-3-[4-[(2-oxopiperidin-3-yl)methyl]phenyl]benzamide is sourced from PubChem (CID 110253955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).