4-(phenylcarbamoylamino)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride

C20H25ClN4O2 — CID 119462020

IUPAC4-(phenylcarbamoylamino)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
SMILESCl.O=C(Nc1ccccc1)Nc1ccc(C(=O)NCC2CCCNC2)cc1
InChIInChI=1S/C20H24N4O2.ClH/c25-19(22-14-15-5-4-12-21-13-15)16-8-10-18(11-9-16)24-20(26)23-17-6-2-1-3-7-17;/h1-3,6-11,15,21H,4-5,12-14H2,(H,22,25)(H2,23,24,26);1H
InChIKeyYAAUUYPVKHZCST-UHFFFAOYSA-N
MW388.90 g/mol
LogP3.48
Rot. Bonds5

About 4-(phenylcarbamoylamino)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride

4-(phenylcarbamoylamino)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride (PubChem CID 119462020) has the molecular formula C20H25ClN4O2 and a molecular weight of 388.90 g/mol. Its IUPAC name is 4-(phenylcarbamoylamino)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-(phenylcarbamoylamino)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
PubChem CID119462020
Molecular FormulaC20H25ClN4O2
Molecular Weight388.90 g/mol
Exact Mass388.17
IUPAC Name4-(phenylcarbamoylamino)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
SMILESCl.O=C(Nc1ccccc1)Nc1ccc(C(=O)NCC2CCCNC2)cc1
InChIInChI=1S/C20H24N4O2.ClH/c25-19(22-14-15-5-4-12-21-13-15)16-8-10-18(11-9-16)24-20(26)23-17-6-2-1-3-7-17;/h1-3,6-11,15,21H,4-5,12-14H2,(H,22,25)(H2,23,24,26);1H
InChIKeyYAAUUYPVKHZCST-UHFFFAOYSA-N
XLogP3.48
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 53.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461032
4-(phenylsulfamoyl)-N-(piperidin-3-ylmethyl)benzamide
CID 119461716
4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462898
4-(phenylsulfanylmethyl)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119464249
N-(piperidin-3-ylmethyl)-4-(trifluoromethyl)benzamide
CID 24701631
1-phenyl-3-(2-piperidin-3-ylethyl)urea
CID 60895337
4-benzylsulfonyl-N-(piperidin-3-ylmethyl)benzamide
CID 119462777
2-phenyl-N-[[(3R)-piperidin-3-yl]methyl]acetamide;hydrochloride
CID 166436266
4-N,4-N-diethyl-1-N-(piperidin-3-ylmethyl)benzene-1,4-dicarboxamide;hydrochloride
CID 119463375
3-N-(piperidin-3-ylmethyl)benzene-1,3-dicarboxamide;hydrochloride
CID 119463124
4-(dimethylamino)-N-(piperidin-3-ylmethyl)benzamide
CID 43329219
N-(piperidin-3-ylmethyl)-4-(trifluoromethylsulfanyl)benzamide;hydrochloride
CID 119462479

Frequently Asked Questions

What is the IUPAC name of 4-(phenylcarbamoylamino)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride?
The IUPAC name of 4-(phenylcarbamoylamino)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride (CID 119462020) is 4-(phenylcarbamoylamino)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride.
What is the SMILES notation for 4-(phenylcarbamoylamino)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride?
The canonical SMILES for 4-(phenylcarbamoylamino)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride is Cl.O=C(Nc1ccccc1)Nc1ccc(C(=O)NCC2CCCNC2)cc1.
What is the InChIKey of 4-(phenylcarbamoylamino)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride?
The InChIKey is YAAUUYPVKHZCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2.ClH/c25-19(22-14-15-5-4-12-21-13-15)16-8-10-18(11-9-16)24-20(26)23-17-6-2-1-3-7-17;/h1-3,6-11,15,21H,4-5,12-14H2,(H,22,25)(H2,23,24,26);1H.
What are the key properties of 4-(phenylcarbamoylamino)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride?
4-(phenylcarbamoylamino)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride has a molecular weight of 388.90 g/mol, XLogP of 3.48, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(phenylcarbamoylamino)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride is sourced from PubChem (CID 119462020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).