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

C21H27ClN4O2 — CID 120553793

IUPAC4-methyl-N-(3-methylpiperidin-4-yl)-3-(phenylcarbamoylamino)benzamide;hydrochloride
SMILESCc1ccc(C(=O)NC2CCNCC2C)cc1NC(=O)Nc1ccccc1.Cl
InChIInChI=1S/C21H26N4O2.ClH/c1-14-8-9-16(20(26)24-18-10-11-22-13-15(18)2)12-19(14)25-21(27)23-17-6-4-3-5-7-17;/h3-9,12,15,18,22H,10-11,13H2,1-2H3,(H,24,26)(H2,23,25,27);1H
InChIKeyAYSOWLMXBHYQKZ-UHFFFAOYSA-N
MW402.93 g/mol
LogP3.79
Rot. Bonds4

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

4-methyl-N-(3-methylpiperidin-4-yl)-3-(phenylcarbamoylamino)benzamide;hydrochloride (PubChem CID 120553793) has the molecular formula C21H27ClN4O2 and a molecular weight of 402.93 g/mol. Its IUPAC name is 4-methyl-N-(3-methylpiperidin-4-yl)-3-(phenylcarbamoylamino)benzamide;hydrochloride.

Molecular Properties

Compound Name4-methyl-N-(3-methylpiperidin-4-yl)-3-(phenylcarbamoylamino)benzamide;hydrochloride
PubChem CID120553793
Molecular FormulaC21H27ClN4O2
Molecular Weight402.93 g/mol
Exact Mass402.18
IUPAC Name4-methyl-N-(3-methylpiperidin-4-yl)-3-(phenylcarbamoylamino)benzamide;hydrochloride
SMILESCc1ccc(C(=O)NC2CCNCC2C)cc1NC(=O)Nc1ccccc1.Cl
InChIInChI=1S/C21H26N4O2.ClH/c1-14-8-9-16(20(26)24-18-10-11-22-13-15(18)2)12-19(14)25-21(27)23-17-6-4-3-5-7-17;/h3-9,12,15,18,22H,10-11,13H2,1-2H3,(H,24,26)(H2,23,25,27);1H
InChIKeyAYSOWLMXBHYQKZ-UHFFFAOYSA-N
XLogP3.79
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.93
LogP ≤ 53.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylpiperidin-4-yl)-3-(propan-2-ylcarbamoylamino)benzamide;hydrochloride
CID 120557334
3-N-(3-methylpiperidin-4-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 120555486
N-(3-methylpiperidin-4-yl)-4-(phenylsulfamoyl)benzamide;hydrochloride
CID 120556844
4-iodo-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120557720
N-(3-methylpiperidin-4-yl)-3-(propanoylamino)benzamide
CID 120554475
2-methyl-N-[(3R,4R)-3-methylpiperidin-4-yl]benzamide
CID 124516930
2-benzamido-N-(3-methylpiperidin-4-yl)benzamide
CID 120557141
4-methyl-3-(phenylcarbamoylamino)benzamide
CID 110472244
4-chloro-3-iodo-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120557633
4-methyl-3-(phenylcarbamoylamino)-N-(2-piperazin-1-ylethyl)benzamide
CID 119448778
N-(3-methylpiperidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 120555926
2-(4-methylbenzoyl)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120553364

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-methylpiperidin-4-yl)-3-(phenylcarbamoylamino)benzamide;hydrochloride?
The IUPAC name of 4-methyl-N-(3-methylpiperidin-4-yl)-3-(phenylcarbamoylamino)benzamide;hydrochloride (CID 120553793) is 4-methyl-N-(3-methylpiperidin-4-yl)-3-(phenylcarbamoylamino)benzamide;hydrochloride.
What is the SMILES notation for 4-methyl-N-(3-methylpiperidin-4-yl)-3-(phenylcarbamoylamino)benzamide;hydrochloride?
The canonical SMILES for 4-methyl-N-(3-methylpiperidin-4-yl)-3-(phenylcarbamoylamino)benzamide;hydrochloride is Cc1ccc(C(=O)NC2CCNCC2C)cc1NC(=O)Nc1ccccc1.Cl.
What is the InChIKey of 4-methyl-N-(3-methylpiperidin-4-yl)-3-(phenylcarbamoylamino)benzamide;hydrochloride?
The InChIKey is AYSOWLMXBHYQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2.ClH/c1-14-8-9-16(20(26)24-18-10-11-22-13-15(18)2)12-19(14)25-21(27)23-17-6-4-3-5-7-17;/h3-9,12,15,18,22H,10-11,13H2,1-2H3,(H,24,26)(H2,23,25,27);1H.
What are the key properties of 4-methyl-N-(3-methylpiperidin-4-yl)-3-(phenylcarbamoylamino)benzamide;hydrochloride?
4-methyl-N-(3-methylpiperidin-4-yl)-3-(phenylcarbamoylamino)benzamide;hydrochloride has a molecular weight of 402.93 g/mol, XLogP of 3.79, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-methylpiperidin-4-yl)-3-(phenylcarbamoylamino)benzamide;hydrochloride is sourced from PubChem (CID 120553793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).