N-(2-chlorophenyl)-3-piperidin-1-ium-1-ylpropanamide

C14H20ClN2O+ — CID 4742381

IUPACN-(2-chlorophenyl)-3-piperidin-1-ium-1-ylpropanamide
SMILESO=C(CC[NH+]1CCCCC1)Nc1ccccc1Cl
InChIInChI=1S/C14H19ClN2O/c15-12-6-2-3-7-13(12)16-14(18)8-11-17-9-4-1-5-10-17/h2-3,6-7H,1,4-5,8-11H2,(H,16,18)/p+1
InChIKeyQYWZCMVYWRHCMX-UHFFFAOYSA-O
MW267.78 g/mol
LogP1.74
Rot. Bonds4

About N-(2-chlorophenyl)-3-piperidin-1-ium-1-ylpropanamide

N-(2-chlorophenyl)-3-piperidin-1-ium-1-ylpropanamide (PubChem CID 4742381) has the molecular formula C14H20ClN2O+ and a molecular weight of 267.78 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-piperidin-1-ium-1-ylpropanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-piperidin-1-ium-1-ylpropanamide
PubChem CID4742381
Molecular FormulaC14H20ClN2O+
Molecular Weight267.78 g/mol
Exact Mass267.13
IUPAC NameN-(2-chlorophenyl)-3-piperidin-1-ium-1-ylpropanamide
SMILESO=C(CC[NH+]1CCCCC1)Nc1ccccc1Cl
InChIInChI=1S/C14H19ClN2O/c15-12-6-2-3-7-13(12)16-14(18)8-11-17-9-4-1-5-10-17/h2-3,6-7H,1,4-5,8-11H2,(H,16,18)/p+1
InChIKeyQYWZCMVYWRHCMX-UHFFFAOYSA-O
XLogP1.74
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 ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-chlorophenyl)-3-[(3R)-3-methylpiperidin-1-ium-1-yl]propanamide
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3-amino-N-(2-chlorophenyl)propanamide
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N-(3-chlorophenyl)-3-pyrrolidin-1-ium-1-ylpropanamide
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2-(azepan-1-yl)-N-(2-chlorophenyl)acetamide
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3-(azepan-1-ium-1-yl)-N-(3,5-dimethylphenyl)propanamide
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N-(2-chlorophenyl)-3-pyrrolidin-1-ylpropanamide;oxalic acid
CID 171154554
N-(2-chlorophenyl)hexanamide
CID 4644560
N-(2-chlorophenyl)-2-sulfanylacetamide
CID 679489
N-(2-chlorophenyl)-3-(2-fluorophenyl)propanamide
CID 9401009
N-(2-chlorophenyl)-3-(ethylamino)propanamide
CID 62832290
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N-(2-chlorophenyl)-3-methylsulfonylpropanamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-piperidin-1-ium-1-ylpropanamide?
The IUPAC name of N-(2-chlorophenyl)-3-piperidin-1-ium-1-ylpropanamide (CID 4742381) is N-(2-chlorophenyl)-3-piperidin-1-ium-1-ylpropanamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-piperidin-1-ium-1-ylpropanamide?
The canonical SMILES for N-(2-chlorophenyl)-3-piperidin-1-ium-1-ylpropanamide is O=C(CC[NH+]1CCCCC1)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-3-piperidin-1-ium-1-ylpropanamide?
The InChIKey is QYWZCMVYWRHCMX-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H19ClN2O/c15-12-6-2-3-7-13(12)16-14(18)8-11-17-9-4-1-5-10-17/h2-3,6-7H,1,4-5,8-11H2,(H,16,18)/p+1.
What are the key properties of N-(2-chlorophenyl)-3-piperidin-1-ium-1-ylpropanamide?
N-(2-chlorophenyl)-3-piperidin-1-ium-1-ylpropanamide has a molecular weight of 267.78 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-piperidin-1-ium-1-ylpropanamide is sourced from PubChem (CID 4742381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).