N-(2-methylpiperidin-3-yl)-4-(phenylcarbamoylamino)benzamide;hydrochloride

C20H25ClN4O2 — CID 120577264

IUPACN-(2-methylpiperidin-3-yl)-4-(phenylcarbamoylamino)benzamide;hydrochloride
SMILESCC1NCCCC1NC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1.Cl
InChIInChI=1S/C20H24N4O2.ClH/c1-14-18(8-5-13-21-14)24-19(25)15-9-11-17(12-10-15)23-20(26)22-16-6-3-2-4-7-16;/h2-4,6-7,9-12,14,18,21H,5,8,13H2,1H3,(H,24,25)(H2,22,23,26);1H
InChIKeyFRFPFTDEHSYIQP-UHFFFAOYSA-N
MW388.90 g/mol
LogP3.62
Rot. Bonds4

About N-(2-methylpiperidin-3-yl)-4-(phenylcarbamoylamino)benzamide;hydrochloride

N-(2-methylpiperidin-3-yl)-4-(phenylcarbamoylamino)benzamide;hydrochloride (PubChem CID 120577264) has the molecular formula C20H25ClN4O2 and a molecular weight of 388.90 g/mol. Its IUPAC name is N-(2-methylpiperidin-3-yl)-4-(phenylcarbamoylamino)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methylpiperidin-3-yl)-4-(phenylcarbamoylamino)benzamide;hydrochloride
PubChem CID120577264
Molecular FormulaC20H25ClN4O2
Molecular Weight388.90 g/mol
Exact Mass388.17
IUPAC NameN-(2-methylpiperidin-3-yl)-4-(phenylcarbamoylamino)benzamide;hydrochloride
SMILESCC1NCCCC1NC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1.Cl
InChIInChI=1S/C20H24N4O2.ClH/c1-14-18(8-5-13-21-14)24-19(25)15-9-11-17(12-10-15)23-20(26)22-16-6-3-2-4-7-16;/h2-4,6-7,9-12,14,18,21H,5,8,13H2,1H3,(H,24,25)(H2,22,23,26);1H
InChIKeyFRFPFTDEHSYIQP-UHFFFAOYSA-N
XLogP3.62
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 53.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R,3R)-2-methylpiperidin-3-yl]benzamide
CID 124511336
3-(cyclopropylcarbamoylamino)-N-(2-methylpiperidin-3-yl)benzamide
CID 120574123
1-(4-fluorophenyl)-3-(2-methylpiperidin-3-yl)urea
CID 79044134
1-(4-methylphenyl)-3-(2-methylpiperidin-3-yl)urea
CID 79043190
N-(2-methylpiperidin-3-yl)-4-(propylsulfonylamino)benzamide;hydrochloride
CID 120577071
N-(2-methylpiperidin-3-yl)-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzamide;hydrochloride
CID 120576394
1-N-(2,2-dimethylpropyl)-4-N-(2-methylpiperidin-3-yl)benzene-1,4-dicarboxamide;hydrochloride
CID 120575205
2-(4-fluorobenzoyl)-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120575467
4-ethylsulfonyl-N-(2-methylpiperidin-3-yl)benzamide
CID 120574136
N-(2-methylpiperidin-3-yl)-2-phenylacetamide;hydrochloride
CID 120574528
4-(cyclopropylmethoxy)-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120574690
4-(cyclopropylsulfamoyl)-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120576685

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-3-yl)-4-(phenylcarbamoylamino)benzamide;hydrochloride?
The IUPAC name of N-(2-methylpiperidin-3-yl)-4-(phenylcarbamoylamino)benzamide;hydrochloride (CID 120577264) is N-(2-methylpiperidin-3-yl)-4-(phenylcarbamoylamino)benzamide;hydrochloride.
What is the SMILES notation for N-(2-methylpiperidin-3-yl)-4-(phenylcarbamoylamino)benzamide;hydrochloride?
The canonical SMILES for N-(2-methylpiperidin-3-yl)-4-(phenylcarbamoylamino)benzamide;hydrochloride is CC1NCCCC1NC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1.Cl.
What is the InChIKey of N-(2-methylpiperidin-3-yl)-4-(phenylcarbamoylamino)benzamide;hydrochloride?
The InChIKey is FRFPFTDEHSYIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2.ClH/c1-14-18(8-5-13-21-14)24-19(25)15-9-11-17(12-10-15)23-20(26)22-16-6-3-2-4-7-16;/h2-4,6-7,9-12,14,18,21H,5,8,13H2,1H3,(H,24,25)(H2,22,23,26);1H.
What are the key properties of N-(2-methylpiperidin-3-yl)-4-(phenylcarbamoylamino)benzamide;hydrochloride?
N-(2-methylpiperidin-3-yl)-4-(phenylcarbamoylamino)benzamide;hydrochloride has a molecular weight of 388.90 g/mol, XLogP of 3.62, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-3-yl)-4-(phenylcarbamoylamino)benzamide;hydrochloride is sourced from PubChem (CID 120577264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).