N-methyl-3-(2-oxoimidazolidin-1-yl)-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]benzamide

C24H30N4O2 — CID 25369030

IUPACN-methyl-3-(2-oxoimidazolidin-1-yl)-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]benzamide
SMILESCN(C(=O)c1cccc(N2CCNC2=O)c1)[C@@H]1CCCN(CCc2ccccc2)C1
InChIInChI=1S/C24H30N4O2/c1-26(22-11-6-14-27(18-22)15-12-19-7-3-2-4-8-19)23(29)20-9-5-10-21(17-20)28-16-13-25-24(28)30/h2-5,7-10,17,22H,6,11-16,18H2,1H3,(H,25,30)/t22-/m1/s1
InChIKeyVWTRQHCBGFIRLU-JOCHJYFZSA-N
MW406.53 g/mol
LogP3.00
Rot. Bonds6

About N-methyl-3-(2-oxoimidazolidin-1-yl)-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]benzamide

N-methyl-3-(2-oxoimidazolidin-1-yl)-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]benzamide (PubChem CID 25369030) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-methyl-3-(2-oxoimidazolidin-1-yl)-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]benzamide.

Molecular Properties

Compound NameN-methyl-3-(2-oxoimidazolidin-1-yl)-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]benzamide
PubChem CID25369030
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC NameN-methyl-3-(2-oxoimidazolidin-1-yl)-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]benzamide
SMILESCN(C(=O)c1cccc(N2CCNC2=O)c1)[C@@H]1CCCN(CCc2ccccc2)C1
InChIInChI=1S/C24H30N4O2/c1-26(22-11-6-14-27(18-22)15-12-19-7-3-2-4-8-19)23(29)20-9-5-10-21(17-20)28-16-13-25-24(28)30/h2-5,7-10,17,22H,6,11-16,18H2,1H3,(H,25,30)/t22-/m1/s1
InChIKeyVWTRQHCBGFIRLU-JOCHJYFZSA-N
XLogP3.00
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2-oxoimidazolidin-1-yl)-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]benzamide?
The IUPAC name of N-methyl-3-(2-oxoimidazolidin-1-yl)-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]benzamide (CID 25369030) is N-methyl-3-(2-oxoimidazolidin-1-yl)-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]benzamide.
What is the SMILES notation for N-methyl-3-(2-oxoimidazolidin-1-yl)-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]benzamide?
The canonical SMILES for N-methyl-3-(2-oxoimidazolidin-1-yl)-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]benzamide is CN(C(=O)c1cccc(N2CCNC2=O)c1)[C@@H]1CCCN(CCc2ccccc2)C1.
What is the InChIKey of N-methyl-3-(2-oxoimidazolidin-1-yl)-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]benzamide?
The InChIKey is VWTRQHCBGFIRLU-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-26(22-11-6-14-27(18-22)15-12-19-7-3-2-4-8-19)23(29)20-9-5-10-21(17-20)28-16-13-25-24(28)30/h2-5,7-10,17,22H,6,11-16,18H2,1H3,(H,25,30)/t22-/m1/s1.
What are the key properties of N-methyl-3-(2-oxoimidazolidin-1-yl)-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]benzamide?
N-methyl-3-(2-oxoimidazolidin-1-yl)-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]benzamide has a molecular weight of 406.53 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-oxoimidazolidin-1-yl)-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]benzamide is sourced from PubChem (CID 25369030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).