4-chloro-N-[1-[3-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]benzamide;hydrochloride

C16H23Cl2N3O2 — CID 119493230

IUPAC4-chloro-N-[1-[3-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]benzamide;hydrochloride
SMILESCNC1CCCN(C(=O)C(C)NC(=O)c2ccc(Cl)cc2)C1.Cl
InChIInChI=1S/C16H22ClN3O2.ClH/c1-11(16(22)20-9-3-4-14(10-20)18-2)19-15(21)12-5-7-13(17)8-6-12;/h5-8,11,14,18H,3-4,9-10H2,1-2H3,(H,19,21);1H
InChIKeyLEANXWATSWWNDZ-UHFFFAOYSA-N
MW360.29 g/mol
LogP2.09
Rot. Bonds4

About 4-chloro-N-[1-[3-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]benzamide;hydrochloride

4-chloro-N-[1-[3-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]benzamide;hydrochloride (PubChem CID 119493230) has the molecular formula C16H23Cl2N3O2 and a molecular weight of 360.29 g/mol. Its IUPAC name is 4-chloro-N-[1-[3-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-chloro-N-[1-[3-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]benzamide;hydrochloride
PubChem CID119493230
Molecular FormulaC16H23Cl2N3O2
Molecular Weight360.29 g/mol
Exact Mass359.12
IUPAC Name4-chloro-N-[1-[3-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]benzamide;hydrochloride
SMILESCNC1CCCN(C(=O)C(C)NC(=O)c2ccc(Cl)cc2)C1.Cl
InChIInChI=1S/C16H22ClN3O2.ClH/c1-11(16(22)20-9-3-4-14(10-20)18-2)19-15(21)12-5-7-13(17)8-6-12;/h5-8,11,14,18H,3-4,9-10H2,1-2H3,(H,19,21);1H
InChIKeyLEANXWATSWWNDZ-UHFFFAOYSA-N
XLogP2.09
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.29
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[3-methyl-1-[3-(methylamino)piperidin-1-yl]-1-oxopentan-2-yl]benzamide;hydrochloride
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1-[2-[(4-chlorobenzoyl)amino]propanoyl]piperidine-4-carboxylic acid
CID 119349897
5-bromo-N-[1-[3-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 119492735
4-chloro-N-[1-(3-methylpiperazin-1-yl)-1-oxopropan-2-yl]benzamide
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4-fluoro-N-[3-methyl-1-[3-(methylamino)piperidin-1-yl]-1-oxobutan-2-yl]benzamide
CID 119490050
N-[1-[3-(1-aminoethyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide;hydrochloride
CID 119596484
N-[1-[2-(aminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-4-chlorobenzamide;hydrochloride
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4-chloro-N-[1-[4-(ethylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]benzamide
CID 119647961
N-[1-[3-(methylamino)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide;hydrochloride
CID 119488269
(3S)-1-[2-[(4-chlorobenzoyl)amino]-3-methylbutanoyl]piperidine-3-carboxylic acid
CID 119173939
1-[2-[(4-tert-butylbenzoyl)amino]propanoyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-[3-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]benzamide;hydrochloride?
The IUPAC name of 4-chloro-N-[1-[3-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]benzamide;hydrochloride (CID 119493230) is 4-chloro-N-[1-[3-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]benzamide;hydrochloride.
What is the SMILES notation for 4-chloro-N-[1-[3-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]benzamide;hydrochloride?
The canonical SMILES for 4-chloro-N-[1-[3-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]benzamide;hydrochloride is CNC1CCCN(C(=O)C(C)NC(=O)c2ccc(Cl)cc2)C1.Cl.
What is the InChIKey of 4-chloro-N-[1-[3-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]benzamide;hydrochloride?
The InChIKey is LEANXWATSWWNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O2.ClH/c1-11(16(22)20-9-3-4-14(10-20)18-2)19-15(21)12-5-7-13(17)8-6-12;/h5-8,11,14,18H,3-4,9-10H2,1-2H3,(H,19,21);1H.
What are the key properties of 4-chloro-N-[1-[3-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]benzamide;hydrochloride?
4-chloro-N-[1-[3-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]benzamide;hydrochloride has a molecular weight of 360.29 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-[3-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]benzamide;hydrochloride is sourced from PubChem (CID 119493230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).