4-chloro-N-[4-oxo-4-(2-piperidin-3-ylethylamino)butyl]benzamide;hydrochloride

C18H27Cl2N3O2 — CID 119557355

IUPAC4-chloro-N-[4-oxo-4-(2-piperidin-3-ylethylamino)butyl]benzamide;hydrochloride
SMILESCl.O=C(CCCNC(=O)c1ccc(Cl)cc1)NCCC1CCCNC1
InChIInChI=1S/C18H26ClN3O2.ClH/c19-16-7-5-15(6-8-16)18(24)22-11-2-4-17(23)21-12-9-14-3-1-10-20-13-14;/h5-8,14,20H,1-4,9-13H2,(H,21,23)(H,22,24);1H
InChIKeyYOGKJHOAJKTKNQ-UHFFFAOYSA-N
MW388.34 g/mol
LogP2.78
Rot. Bonds8

About 4-chloro-N-[4-oxo-4-(2-piperidin-3-ylethylamino)butyl]benzamide;hydrochloride

4-chloro-N-[4-oxo-4-(2-piperidin-3-ylethylamino)butyl]benzamide;hydrochloride (PubChem CID 119557355) has the molecular formula C18H27Cl2N3O2 and a molecular weight of 388.34 g/mol. Its IUPAC name is 4-chloro-N-[4-oxo-4-(2-piperidin-3-ylethylamino)butyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-chloro-N-[4-oxo-4-(2-piperidin-3-ylethylamino)butyl]benzamide;hydrochloride
PubChem CID119557355
Molecular FormulaC18H27Cl2N3O2
Molecular Weight388.34 g/mol
Exact Mass387.15
IUPAC Name4-chloro-N-[4-oxo-4-(2-piperidin-3-ylethylamino)butyl]benzamide;hydrochloride
SMILESCl.O=C(CCCNC(=O)c1ccc(Cl)cc1)NCCC1CCCNC1
InChIInChI=1S/C18H26ClN3O2.ClH/c19-16-7-5-15(6-8-16)18(24)22-11-2-4-17(23)21-12-9-14-3-1-10-20-13-14;/h5-8,14,20H,1-4,9-13H2,(H,21,23)(H,22,24);1H
InChIKeyYOGKJHOAJKTKNQ-UHFFFAOYSA-N
XLogP2.78
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.34
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119554925
4-tert-butyl-N-[3-oxo-3-(2-piperidin-3-ylethylamino)propyl]benzamide
CID 119556823
3-(4-chlorophenoxy)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119555737
4-chloro-N-[4-oxo-4-(pyrrolidin-3-ylamino)butyl]benzamide
CID 119451983
4-chloro-3-fluoro-N-(2-piperidin-3-ylethyl)benzamide
CID 107990343
3-chloro-N-(2-piperidin-3-ylethyl)benzamide
CID 63628186
4-methoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556793
N-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]benzamide;hydrochloride
CID 119557882
4-N-(2,2-dimethylpropyl)-1-N-(2-piperidin-3-ylethyl)benzene-1,4-dicarboxamide;hydrochloride
CID 119558369
N-(2-piperidin-3-ylethyl)-4-(1H-pyrrole-3-carbonyl)benzamide;hydrochloride
CID 119559628
4-chloro-N-[4-(cyclopropylmethylamino)-4-oxobutyl]benzamide
CID 46541860
4-methoxy-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride
CID 119555814

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-oxo-4-(2-piperidin-3-ylethylamino)butyl]benzamide;hydrochloride?
The IUPAC name of 4-chloro-N-[4-oxo-4-(2-piperidin-3-ylethylamino)butyl]benzamide;hydrochloride (CID 119557355) is 4-chloro-N-[4-oxo-4-(2-piperidin-3-ylethylamino)butyl]benzamide;hydrochloride.
What is the SMILES notation for 4-chloro-N-[4-oxo-4-(2-piperidin-3-ylethylamino)butyl]benzamide;hydrochloride?
The canonical SMILES for 4-chloro-N-[4-oxo-4-(2-piperidin-3-ylethylamino)butyl]benzamide;hydrochloride is Cl.O=C(CCCNC(=O)c1ccc(Cl)cc1)NCCC1CCCNC1.
What is the InChIKey of 4-chloro-N-[4-oxo-4-(2-piperidin-3-ylethylamino)butyl]benzamide;hydrochloride?
The InChIKey is YOGKJHOAJKTKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O2.ClH/c19-16-7-5-15(6-8-16)18(24)22-11-2-4-17(23)21-12-9-14-3-1-10-20-13-14;/h5-8,14,20H,1-4,9-13H2,(H,21,23)(H,22,24);1H.
What are the key properties of 4-chloro-N-[4-oxo-4-(2-piperidin-3-ylethylamino)butyl]benzamide;hydrochloride?
4-chloro-N-[4-oxo-4-(2-piperidin-3-ylethylamino)butyl]benzamide;hydrochloride has a molecular weight of 388.34 g/mol, XLogP of 2.78, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-oxo-4-(2-piperidin-3-ylethylamino)butyl]benzamide;hydrochloride is sourced from PubChem (CID 119557355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).