2,5-dichloro-N-(5-piperidin-1-ylpentyl)benzamide

C17H24Cl2N2O — CID 110440779

IUPAC2,5-dichloro-N-(5-piperidin-1-ylpentyl)benzamide
SMILESO=C(NCCCCCN1CCCCC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H24Cl2N2O/c18-14-7-8-16(19)15(13-14)17(22)20-9-3-1-4-10-21-11-5-2-6-12-21/h7-8,13H,1-6,9-12H2,(H,20,22)
InChIKeyLMLZHPMUMXDTSE-UHFFFAOYSA-N
MW343.30 g/mol
LogP4.38
Rot. Bonds7

About 2,5-dichloro-N-(5-piperidin-1-ylpentyl)benzamide

2,5-dichloro-N-(5-piperidin-1-ylpentyl)benzamide (PubChem CID 110440779) has the molecular formula C17H24Cl2N2O and a molecular weight of 343.30 g/mol. Its IUPAC name is 2,5-dichloro-N-(5-piperidin-1-ylpentyl)benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-(5-piperidin-1-ylpentyl)benzamide
PubChem CID110440779
Molecular FormulaC17H24Cl2N2O
Molecular Weight343.30 g/mol
Exact Mass342.13
IUPAC Name2,5-dichloro-N-(5-piperidin-1-ylpentyl)benzamide
SMILESO=C(NCCCCCN1CCCCC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H24Cl2N2O/c18-14-7-8-16(19)15(13-14)17(22)20-9-3-1-4-10-21-11-5-2-6-12-21/h7-8,13H,1-6,9-12H2,(H,20,22)
InChIKeyLMLZHPMUMXDTSE-UHFFFAOYSA-N
XLogP4.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.30
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,5-dichloro-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide
CID 47029242
2,5-dichloro-N-(3-piperazin-1-ylpropyl)benzamide
CID 43443285
5-chloro-2-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 94885064
2,5-dichloro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224466
4-chloro-2-nitro-N-(3-piperidin-1-ylpropyl)benzamide
CID 43020133
N-[2-(azepan-1-yl)ethyl]-2-bromo-4-chlorobenzamide
CID 103763914
2-chloro-4,5-difluoro-N-(2-piperidin-1-ylethyl)benzamide
CID 17173608
5-amino-2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 62636573
2,5-dichloro-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide
CID 114917609
4-chloro-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 81226066
2-amino-N-(5-piperidin-1-ylpentyl)benzamide
CID 119947207
2-amino-5-chloro-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide
CID 114923433

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(5-piperidin-1-ylpentyl)benzamide?
The IUPAC name of 2,5-dichloro-N-(5-piperidin-1-ylpentyl)benzamide (CID 110440779) is 2,5-dichloro-N-(5-piperidin-1-ylpentyl)benzamide.
What is the SMILES notation for 2,5-dichloro-N-(5-piperidin-1-ylpentyl)benzamide?
The canonical SMILES for 2,5-dichloro-N-(5-piperidin-1-ylpentyl)benzamide is O=C(NCCCCCN1CCCCC1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-(5-piperidin-1-ylpentyl)benzamide?
The InChIKey is LMLZHPMUMXDTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24Cl2N2O/c18-14-7-8-16(19)15(13-14)17(22)20-9-3-1-4-10-21-11-5-2-6-12-21/h7-8,13H,1-6,9-12H2,(H,20,22).
What are the key properties of 2,5-dichloro-N-(5-piperidin-1-ylpentyl)benzamide?
2,5-dichloro-N-(5-piperidin-1-ylpentyl)benzamide has a molecular weight of 343.30 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(5-piperidin-1-ylpentyl)benzamide is sourced from PubChem (CID 110440779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).