4-chloro-N-(2-piperidin-1-ium-1-ylethyl)benzamide

C14H20ClN2O+ — CID 5235614

IUPAC4-chloro-N-(2-piperidin-1-ium-1-ylethyl)benzamide
SMILESO=C(NCC[NH+]1CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O/c15-13-6-4-12(5-7-13)14(18)16-8-11-17-9-2-1-3-10-17/h4-7H,1-3,8-11H2,(H,16,18)/p+1
InChIKeyHQBDFUGKTLJCSU-UHFFFAOYSA-O
MW267.78 g/mol
LogP1.14
Rot. Bonds4

About 4-chloro-N-(2-piperidin-1-ium-1-ylethyl)benzamide

4-chloro-N-(2-piperidin-1-ium-1-ylethyl)benzamide (PubChem CID 5235614) has the molecular formula C14H20ClN2O+ and a molecular weight of 267.78 g/mol. Its IUPAC name is 4-chloro-N-(2-piperidin-1-ium-1-ylethyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(2-piperidin-1-ium-1-ylethyl)benzamide
PubChem CID5235614
Molecular FormulaC14H20ClN2O+
Molecular Weight267.78 g/mol
Exact Mass267.13
IUPAC Name4-chloro-N-(2-piperidin-1-ium-1-ylethyl)benzamide
SMILESO=C(NCC[NH+]1CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O/c15-13-6-4-12(5-7-13)14(18)16-8-11-17-9-2-1-3-10-17/h4-7H,1-3,8-11H2,(H,16,18)/p+1
InChIKeyHQBDFUGKTLJCSU-UHFFFAOYSA-O
XLogP1.14
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.78
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(4-chlorophenyl)sulfamoyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide
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3,4-dihydroxy-N-(2-piperidin-1-ium-1-ylethyl)benzamide
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4-chloro-N-[8-[(4-chlorobenzoyl)amino]octyl]benzamide
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2-[(4-chlorobenzoyl)amino]ethylcarbamic acid
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3-methyl-N-(2-piperidin-1-ium-1-ylethyl)benzamide chloride
CID 18532138
2-[(4-chlorobenzoyl)amino]ethylazanium chloride
CID 43834591
3-chloro-N-(2-morpholin-4-ium-4-ylethyl)benzamide
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4-chloro-N-(2-methoxyethyl)benzamide
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4-chloro-3-nitro-N-(3-piperidin-1-ium-1-ylpropyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-piperidin-1-ium-1-ylethyl)benzamide?
The IUPAC name of 4-chloro-N-(2-piperidin-1-ium-1-ylethyl)benzamide (CID 5235614) is 4-chloro-N-(2-piperidin-1-ium-1-ylethyl)benzamide.
What is the SMILES notation for 4-chloro-N-(2-piperidin-1-ium-1-ylethyl)benzamide?
The canonical SMILES for 4-chloro-N-(2-piperidin-1-ium-1-ylethyl)benzamide is O=C(NCC[NH+]1CCCCC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(2-piperidin-1-ium-1-ylethyl)benzamide?
The InChIKey is HQBDFUGKTLJCSU-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H19ClN2O/c15-13-6-4-12(5-7-13)14(18)16-8-11-17-9-2-1-3-10-17/h4-7H,1-3,8-11H2,(H,16,18)/p+1.
What are the key properties of 4-chloro-N-(2-piperidin-1-ium-1-ylethyl)benzamide?
4-chloro-N-(2-piperidin-1-ium-1-ylethyl)benzamide has a molecular weight of 267.78 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-piperidin-1-ium-1-ylethyl)benzamide is sourced from PubChem (CID 5235614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).