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

C25H31N3O2 — CID 46466905

IUPAC3-(cyclopropanecarbonylamino)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
SMILESCC1CCN(Cc2ccccc2CNC(=O)c2cccc(NC(=O)C3CC3)c2)CC1
InChIInChI=1S/C25H31N3O2/c1-18-11-13-28(14-12-18)17-22-6-3-2-5-21(22)16-26-24(29)20-7-4-8-23(15-20)27-25(30)19-9-10-19/h2-8,15,18-19H,9-14,16-17H2,1H3,(H,26,29)(H,27,30)
InChIKeyXUQISQRMQGZFAE-UHFFFAOYSA-N
MW405.54 g/mol
LogP4.20
Rot. Bonds7

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

3-(cyclopropanecarbonylamino)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide (PubChem CID 46466905) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is 3-(cyclopropanecarbonylamino)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-(cyclopropanecarbonylamino)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
PubChem CID46466905
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC Name3-(cyclopropanecarbonylamino)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
SMILESCC1CCN(Cc2ccccc2CNC(=O)c2cccc(NC(=O)C3CC3)c2)CC1
InChIInChI=1S/C25H31N3O2/c1-18-11-13-28(14-12-18)17-22-6-3-2-5-21(22)16-26-24(29)20-7-4-8-23(15-20)27-25(30)19-9-10-19/h2-8,15,18-19H,9-14,16-17H2,1H3,(H,26,29)(H,27,30)
InChIKeyXUQISQRMQGZFAE-UHFFFAOYSA-N
XLogP4.20
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-methylcyclopropanecarbonyl)amino]-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 55714267
N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 55650150
ethyl N-[3-[[2-(piperidin-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]carbamate
CID 9069273
N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-methylbenzamide
CID 111520307
3-(cyclopropanecarbonylamino)-N-prop-2-ynylbenzamide
CID 30600577
N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 55710130
2-methyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 46476891
3-fluoro-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 111520313
3-(cyclopropanecarbonylamino)-N-(2-methylpropyl)benzamide
CID 40603945
N-[[2-(ethoxymethyl)phenyl]methyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 47028913
1-(naphthalen-1-ylmethyl)-N-phenylpiperidine-4-carboxamide
CID 18089122
1-N,4-N-bis[3-(methylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17233453

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropanecarbonylamino)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide?
The IUPAC name of 3-(cyclopropanecarbonylamino)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide (CID 46466905) is 3-(cyclopropanecarbonylamino)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide.
What is the SMILES notation for 3-(cyclopropanecarbonylamino)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide?
The canonical SMILES for 3-(cyclopropanecarbonylamino)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide is CC1CCN(Cc2ccccc2CNC(=O)c2cccc(NC(=O)C3CC3)c2)CC1.
What is the InChIKey of 3-(cyclopropanecarbonylamino)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide?
The InChIKey is XUQISQRMQGZFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2/c1-18-11-13-28(14-12-18)17-22-6-3-2-5-21(22)16-26-24(29)20-7-4-8-23(15-20)27-25(30)19-9-10-19/h2-8,15,18-19H,9-14,16-17H2,1H3,(H,26,29)(H,27,30).
What are the key properties of 3-(cyclopropanecarbonylamino)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide?
3-(cyclopropanecarbonylamino)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide has a molecular weight of 405.54 g/mol, XLogP of 4.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropanecarbonylamino)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide is sourced from PubChem (CID 46466905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).