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

C17H27ClN4O2 — CID 120557334

IUPACN-(3-methylpiperidin-4-yl)-3-(propan-2-ylcarbamoylamino)benzamide;hydrochloride
SMILESCC(C)NC(=O)Nc1cccc(C(=O)NC2CCNCC2C)c1.Cl
InChIInChI=1S/C17H26N4O2.ClH/c1-11(2)19-17(23)20-14-6-4-5-13(9-14)16(22)21-15-7-8-18-10-12(15)3;/h4-6,9,11-12,15,18H,7-8,10H2,1-3H3,(H,21,22)(H2,19,20,23);1H
InChIKeyDWEQZMJFHNFMGY-UHFFFAOYSA-N
MW354.88 g/mol
LogP2.37
Rot. Bonds4

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

N-(3-methylpiperidin-4-yl)-3-(propan-2-ylcarbamoylamino)benzamide;hydrochloride (PubChem CID 120557334) has the molecular formula C17H27ClN4O2 and a molecular weight of 354.88 g/mol. Its IUPAC name is N-(3-methylpiperidin-4-yl)-3-(propan-2-ylcarbamoylamino)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-methylpiperidin-4-yl)-3-(propan-2-ylcarbamoylamino)benzamide;hydrochloride
PubChem CID120557334
Molecular FormulaC17H27ClN4O2
Molecular Weight354.88 g/mol
Exact Mass354.18
IUPAC NameN-(3-methylpiperidin-4-yl)-3-(propan-2-ylcarbamoylamino)benzamide;hydrochloride
SMILESCC(C)NC(=O)Nc1cccc(C(=O)NC2CCNCC2C)c1.Cl
InChIInChI=1S/C17H26N4O2.ClH/c1-11(2)19-17(23)20-14-6-4-5-13(9-14)16(22)21-15-7-8-18-10-12(15)3;/h4-6,9,11-12,15,18H,7-8,10H2,1-3H3,(H,21,22)(H2,19,20,23);1H
InChIKeyDWEQZMJFHNFMGY-UHFFFAOYSA-N
XLogP2.37
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 52.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-piperidin-3-yl-3-(propan-2-ylcarbamoylamino)benzamide
CID 119426507
N-(3-methylpiperidin-4-yl)-3-(propanoylamino)benzamide
CID 120554475
N-piperidin-4-yl-3-(propan-2-ylcarbamoylamino)benzamide
CID 119387911
3-N-(3-methylpiperidin-4-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 120555486
4-methyl-N-(3-methylpiperidin-4-yl)-3-(phenylcarbamoylamino)benzamide;hydrochloride
CID 120553793
N-(3-methylpiperidin-4-yl)-3-(trifluoromethyl)benzamide
CID 79886276
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(propan-2-ylcarbamoylamino)benzamide;hydrochloride
CID 120943789
3-(3-methoxypropoxy)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120555078
4-iodo-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120557720
N-(3-methylpiperidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 120555926
N-(3-methylpiperidin-4-yl)-4-(phenylsulfamoyl)benzamide;hydrochloride
CID 120556844
3-(diethylsulfamoyl)-N-(3-methylpiperidin-4-yl)benzamide
CID 120556196

Frequently Asked Questions

What is the IUPAC name of N-(3-methylpiperidin-4-yl)-3-(propan-2-ylcarbamoylamino)benzamide;hydrochloride?
The IUPAC name of N-(3-methylpiperidin-4-yl)-3-(propan-2-ylcarbamoylamino)benzamide;hydrochloride (CID 120557334) is N-(3-methylpiperidin-4-yl)-3-(propan-2-ylcarbamoylamino)benzamide;hydrochloride.
What is the SMILES notation for N-(3-methylpiperidin-4-yl)-3-(propan-2-ylcarbamoylamino)benzamide;hydrochloride?
The canonical SMILES for N-(3-methylpiperidin-4-yl)-3-(propan-2-ylcarbamoylamino)benzamide;hydrochloride is CC(C)NC(=O)Nc1cccc(C(=O)NC2CCNCC2C)c1.Cl.
What is the InChIKey of N-(3-methylpiperidin-4-yl)-3-(propan-2-ylcarbamoylamino)benzamide;hydrochloride?
The InChIKey is DWEQZMJFHNFMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2.ClH/c1-11(2)19-17(23)20-14-6-4-5-13(9-14)16(22)21-15-7-8-18-10-12(15)3;/h4-6,9,11-12,15,18H,7-8,10H2,1-3H3,(H,21,22)(H2,19,20,23);1H.
What are the key properties of N-(3-methylpiperidin-4-yl)-3-(propan-2-ylcarbamoylamino)benzamide;hydrochloride?
N-(3-methylpiperidin-4-yl)-3-(propan-2-ylcarbamoylamino)benzamide;hydrochloride has a molecular weight of 354.88 g/mol, XLogP of 2.37, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpiperidin-4-yl)-3-(propan-2-ylcarbamoylamino)benzamide;hydrochloride is sourced from PubChem (CID 120557334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).