4-chloro-N-[1-oxo-1-(piperidin-4-ylamino)propan-2-yl]benzamide;hydrochloride

C15H21Cl2N3O2 — CID 119389974

IUPAC4-chloro-N-[1-oxo-1-(piperidin-4-ylamino)propan-2-yl]benzamide;hydrochloride
SMILESCC(NC(=O)c1ccc(Cl)cc1)C(=O)NC1CCNCC1.Cl
InChIInChI=1S/C15H20ClN3O2.ClH/c1-10(14(20)19-13-6-8-17-9-7-13)18-15(21)11-2-4-12(16)5-3-11;/h2-5,10,13,17H,6-9H2,1H3,(H,18,21)(H,19,20);1H
InChIKeyXBHIFFGNCAGJFI-UHFFFAOYSA-N
MW346.26 g/mol
LogP1.75
Rot. Bonds4

About 4-chloro-N-[1-oxo-1-(piperidin-4-ylamino)propan-2-yl]benzamide;hydrochloride

4-chloro-N-[1-oxo-1-(piperidin-4-ylamino)propan-2-yl]benzamide;hydrochloride (PubChem CID 119389974) has the molecular formula C15H21Cl2N3O2 and a molecular weight of 346.26 g/mol. Its IUPAC name is 4-chloro-N-[1-oxo-1-(piperidin-4-ylamino)propan-2-yl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-chloro-N-[1-oxo-1-(piperidin-4-ylamino)propan-2-yl]benzamide;hydrochloride
PubChem CID119389974
Molecular FormulaC15H21Cl2N3O2
Molecular Weight346.26 g/mol
Exact Mass345.10
IUPAC Name4-chloro-N-[1-oxo-1-(piperidin-4-ylamino)propan-2-yl]benzamide;hydrochloride
SMILESCC(NC(=O)c1ccc(Cl)cc1)C(=O)NC1CCNCC1.Cl
InChIInChI=1S/C15H20ClN3O2.ClH/c1-10(14(20)19-13-6-8-17-9-7-13)18-15(21)11-2-4-12(16)5-3-11;/h2-5,10,13,17H,6-9H2,1H3,(H,18,21)(H,19,20);1H
InChIKeyXBHIFFGNCAGJFI-UHFFFAOYSA-N
XLogP1.75
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.26
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-oxo-1-(piperidin-4-ylamino)propan-2-yl]benzamide;hydrochloride?
The IUPAC name of 4-chloro-N-[1-oxo-1-(piperidin-4-ylamino)propan-2-yl]benzamide;hydrochloride (CID 119389974) is 4-chloro-N-[1-oxo-1-(piperidin-4-ylamino)propan-2-yl]benzamide;hydrochloride.
What is the SMILES notation for 4-chloro-N-[1-oxo-1-(piperidin-4-ylamino)propan-2-yl]benzamide;hydrochloride?
The canonical SMILES for 4-chloro-N-[1-oxo-1-(piperidin-4-ylamino)propan-2-yl]benzamide;hydrochloride is CC(NC(=O)c1ccc(Cl)cc1)C(=O)NC1CCNCC1.Cl.
What is the InChIKey of 4-chloro-N-[1-oxo-1-(piperidin-4-ylamino)propan-2-yl]benzamide;hydrochloride?
The InChIKey is XBHIFFGNCAGJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2.ClH/c1-10(14(20)19-13-6-8-17-9-7-13)18-15(21)11-2-4-12(16)5-3-11;/h2-5,10,13,17H,6-9H2,1H3,(H,18,21)(H,19,20);1H.
What are the key properties of 4-chloro-N-[1-oxo-1-(piperidin-4-ylamino)propan-2-yl]benzamide;hydrochloride?
4-chloro-N-[1-oxo-1-(piperidin-4-ylamino)propan-2-yl]benzamide;hydrochloride has a molecular weight of 346.26 g/mol, XLogP of 1.75, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-oxo-1-(piperidin-4-ylamino)propan-2-yl]benzamide;hydrochloride is sourced from PubChem (CID 119389974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).