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

C17H27ClN4O2 — CID 120600879

IUPACN-(2-methylpiperidin-4-yl)-2-(propan-2-ylcarbamoylamino)benzamide;hydrochloride
SMILESCC(C)NC(=O)Nc1ccccc1C(=O)NC1CCNC(C)C1.Cl
InChIInChI=1S/C17H26N4O2.ClH/c1-11(2)19-17(23)21-15-7-5-4-6-14(15)16(22)20-13-8-9-18-12(3)10-13;/h4-7,11-13,18H,8-10H2,1-3H3,(H,20,22)(H2,19,21,23);1H
InChIKeyGKYAWONSWQRMCG-UHFFFAOYSA-N
MW354.88 g/mol
LogP2.51
Rot. Bonds4

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

N-(2-methylpiperidin-4-yl)-2-(propan-2-ylcarbamoylamino)benzamide;hydrochloride (PubChem CID 120600879) has the molecular formula C17H27ClN4O2 and a molecular weight of 354.88 g/mol. Its IUPAC name is N-(2-methylpiperidin-4-yl)-2-(propan-2-ylcarbamoylamino)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methylpiperidin-4-yl)-2-(propan-2-ylcarbamoylamino)benzamide;hydrochloride
PubChem CID120600879
Molecular FormulaC17H27ClN4O2
Molecular Weight354.88 g/mol
Exact Mass354.18
IUPAC NameN-(2-methylpiperidin-4-yl)-2-(propan-2-ylcarbamoylamino)benzamide;hydrochloride
SMILESCC(C)NC(=O)Nc1ccccc1C(=O)NC1CCNC(C)C1.Cl
InChIInChI=1S/C17H26N4O2.ClH/c1-11(2)19-17(23)21-15-7-5-4-6-14(15)16(22)20-13-8-9-18-12(3)10-13;/h4-7,11-13,18H,8-10H2,1-3H3,(H,20,22)(H2,19,21,23);1H
InChIKeyGKYAWONSWQRMCG-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 106995611
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CID 120598370
N-(2-methylpiperidin-4-yl)-1-benzofuran-3-carboxamide;hydrochloride
CID 120602513
2-(2-methoxyethoxy)-N-(2-methylpiperidin-4-yl)benzamide
CID 120599845
2-chloro-N-(2-methylpiperidin-4-yl)-5-(2-methylpropanoylamino)benzamide
CID 120598752
N-(2-methylpiperidin-4-yl)-2-prop-2-enoxybenzamide;hydrochloride
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CID 24693610
2-[[(2S)-2-chloropropanoyl]amino]-N-cyclohexylbenzamide
CID 92660383

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-4-yl)-2-(propan-2-ylcarbamoylamino)benzamide;hydrochloride?
The IUPAC name of N-(2-methylpiperidin-4-yl)-2-(propan-2-ylcarbamoylamino)benzamide;hydrochloride (CID 120600879) is N-(2-methylpiperidin-4-yl)-2-(propan-2-ylcarbamoylamino)benzamide;hydrochloride.
What is the SMILES notation for N-(2-methylpiperidin-4-yl)-2-(propan-2-ylcarbamoylamino)benzamide;hydrochloride?
The canonical SMILES for N-(2-methylpiperidin-4-yl)-2-(propan-2-ylcarbamoylamino)benzamide;hydrochloride is CC(C)NC(=O)Nc1ccccc1C(=O)NC1CCNC(C)C1.Cl.
What is the InChIKey of N-(2-methylpiperidin-4-yl)-2-(propan-2-ylcarbamoylamino)benzamide;hydrochloride?
The InChIKey is GKYAWONSWQRMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2.ClH/c1-11(2)19-17(23)21-15-7-5-4-6-14(15)16(22)20-13-8-9-18-12(3)10-13;/h4-7,11-13,18H,8-10H2,1-3H3,(H,20,22)(H2,19,21,23);1H.
What are the key properties of N-(2-methylpiperidin-4-yl)-2-(propan-2-ylcarbamoylamino)benzamide;hydrochloride?
N-(2-methylpiperidin-4-yl)-2-(propan-2-ylcarbamoylamino)benzamide;hydrochloride has a molecular weight of 354.88 g/mol, XLogP of 2.51, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-4-yl)-2-(propan-2-ylcarbamoylamino)benzamide;hydrochloride is sourced from PubChem (CID 120600879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).