N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide

C26H33N3O2 — CID 132666115

IUPACN-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESCC1CCN(c2ccc(C(C)NC(=O)c3ccc(CN4CCCC4=O)cc3)cc2)CC1
InChIInChI=1S/C26H33N3O2/c1-19-13-16-28(17-14-19)24-11-9-22(10-12-24)20(2)27-26(31)23-7-5-21(6-8-23)18-29-15-3-4-25(29)30/h5-12,19-20H,3-4,13-18H2,1-2H3,(H,27,31)
InChIKeyGCAHVZJCUKWZIK-UHFFFAOYSA-N
MW419.57 g/mol
LogP4.54
Rot. Bonds6

About N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide

N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide (PubChem CID 132666115) has the molecular formula C26H33N3O2 and a molecular weight of 419.57 g/mol. Its IUPAC name is N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
PubChem CID132666115
Molecular FormulaC26H33N3O2
Molecular Weight419.57 g/mol
Exact Mass419.26
IUPAC NameN-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESCC1CCN(c2ccc(C(C)NC(=O)c3ccc(CN4CCCC4=O)cc3)cc2)CC1
InChIInChI=1S/C26H33N3O2/c1-19-13-16-28(17-14-19)24-11-9-22(10-12-24)20(2)27-26(31)23-7-5-21(6-8-23)18-29-15-3-4-25(29)30/h5-12,19-20H,3-4,13-18H2,1-2H3,(H,27,31)
InChIKeyGCAHVZJCUKWZIK-UHFFFAOYSA-N
XLogP4.54
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 94012016
4-[(2-oxopyrrolidin-1-yl)methyl]-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 31735604
4-(imidazol-1-ylmethyl)-N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzamide
CID 94013658
N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 132662608
4-(azepan-1-ylmethyl)-N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]benzamide
CID 125044162
N-[(1R)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-4-nitrobenzamide
CID 99994784
N-[1-(4-chlorophenyl)-2-methylpropyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 24625973
N-[(1R)-1-(furan-2-yl)ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9482225
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 94024334
N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9162465
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]benzamide
CID 125073985
N-[cyclopropyl(phenyl)methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 46451092

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The IUPAC name of N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide (CID 132666115) is N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide is CC1CCN(c2ccc(C(C)NC(=O)c3ccc(CN4CCCC4=O)cc3)cc2)CC1.
What is the InChIKey of N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The InChIKey is GCAHVZJCUKWZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O2/c1-19-13-16-28(17-14-19)24-11-9-22(10-12-24)20(2)27-26(31)23-7-5-21(6-8-23)18-29-15-3-4-25(29)30/h5-12,19-20H,3-4,13-18H2,1-2H3,(H,27,31).
What are the key properties of N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide has a molecular weight of 419.57 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 132666115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).