N-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide

C25H31N3O2 — CID 92627414

IUPACN-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESC[C@H]1CCCCN1Cc1cccc(NC(=O)c2cccc(CN3CCCC3=O)c2)c1
InChIInChI=1S/C25H31N3O2/c1-19-7-2-3-13-27(19)17-21-9-5-11-23(16-21)26-25(30)22-10-4-8-20(15-22)18-28-14-6-12-24(28)29/h4-5,8-11,15-16,19H,2-3,6-7,12-14,17-18H2,1H3,(H,26,30)/t19-/m0/s1
InChIKeyBWUUTEXDEPWFGH-IBGZPJMESA-N
MW405.54 g/mol
LogP4.44
Rot. Bonds6

About N-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide

N-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide (PubChem CID 92627414) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is N-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
PubChem CID92627414
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC NameN-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESC[C@H]1CCCCN1Cc1cccc(NC(=O)c2cccc(CN3CCCC3=O)c2)c1
InChIInChI=1S/C25H31N3O2/c1-19-7-2-3-13-27(19)17-21-9-5-11-23(16-21)26-25(30)22-10-4-8-20(15-22)18-28-14-6-12-24(28)29/h4-5,8-11,15-16,19H,2-3,6-7,12-14,17-18H2,1H3,(H,26,30)/t19-/m0/s1
InChIKeyBWUUTEXDEPWFGH-IBGZPJMESA-N
XLogP4.44
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-methylcyclopropanecarbonyl)amino]-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzamide
CID 55651425
3-amino-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide
CID 119759695
N-cyclopentyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9209303
[2-formyl-4-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]carbamoyl]phenyl]boronic acid
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CID 95131755
N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 134062959
N-(2-chlorophenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9032159
N-(3-acetylphenyl)-4-[(2-methylpyrrolidin-1-yl)methyl]benzamide
CID 50980549
N-(2,3-dichlorophenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 51219042
3-[[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methylamino]methyl]benzoic acid
CID 122030312
N-(3,4-dipropoxyphenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9376524
N-[2-[(4-tert-butylbenzoyl)amino]phenyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 55750325

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The IUPAC name of N-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide (CID 92627414) is N-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide is C[C@H]1CCCCN1Cc1cccc(NC(=O)c2cccc(CN3CCCC3=O)c2)c1.
What is the InChIKey of N-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The InChIKey is BWUUTEXDEPWFGH-IBGZPJMESA-N. The full InChI is InChI=1S/C25H31N3O2/c1-19-7-2-3-13-27(19)17-21-9-5-11-23(16-21)26-25(30)22-10-4-8-20(15-22)18-28-14-6-12-24(28)29/h4-5,8-11,15-16,19H,2-3,6-7,12-14,17-18H2,1H3,(H,26,30)/t19-/m0/s1.
What are the key properties of N-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
N-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide has a molecular weight of 405.54 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 92627414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).