N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide

C20H29N3O3 — CID 120890173

IUPACN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
SMILESCOCC1(CNC(=O)c2cccc(NC(=O)C3CC3C)c2)CCNCC1
InChIInChI=1S/C20H29N3O3/c1-14-10-17(14)19(25)23-16-5-3-4-15(11-16)18(24)22-12-20(13-26-2)6-8-21-9-7-20/h3-5,11,14,17,21H,6-10,12-13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyKVUOGIPGIRFUPD-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.03
Rot. Bonds7

About N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide (PubChem CID 120890173) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
PubChem CID120890173
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
SMILESCOCC1(CNC(=O)c2cccc(NC(=O)C3CC3C)c2)CCNCC1
InChIInChI=1S/C20H29N3O3/c1-14-10-17(14)19(25)23-16-5-3-4-15(11-16)18(24)22-12-20(13-26-2)6-8-21-9-7-20/h3-5,11,14,17,21H,6-10,12-13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyKVUOGIPGIRFUPD-UHFFFAOYSA-N
XLogP2.03
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide with MolForge

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Related Compounds

3-(cyclopropanecarbonylamino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120891219
3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120890944
3-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120888252
3-cyclopentyloxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120890417
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-pyridin-4-yloxybenzamide;dihydrochloride
CID 120887333
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,4-dimethylbenzamide;hydrochloride
CID 120891605
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(sulfamoylmethyl)benzamide;hydrochloride
CID 120887481
3-(ethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120888580
methyl 1-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]cyclohexane-1-carboxylate
CID 55670750
4-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120890009
3-[(2-methylcyclopropanecarbonyl)amino]-N-piperidin-4-ylbenzamide;hydrochloride
CID 119388968
N-[3-(methylamino)propyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide;hydrochloride
CID 119432738

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide?
The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide (CID 120890173) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide.
What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide?
The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide is COCC1(CNC(=O)c2cccc(NC(=O)C3CC3C)c2)CCNCC1.
What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide?
The InChIKey is KVUOGIPGIRFUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-14-10-17(14)19(25)23-16-5-3-4-15(11-16)18(24)22-12-20(13-26-2)6-8-21-9-7-20/h3-5,11,14,17,21H,6-10,12-13H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide?
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide has a molecular weight of 359.47 g/mol, XLogP of 2.03, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide is sourced from PubChem (CID 120890173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).