3-amino-2-chloro-N-(2-piperidin-1-ylethyl)benzamide

C14H20ClN3O — CID 112575773

IUPAC3-amino-2-chloro-N-(2-piperidin-1-ylethyl)benzamide
SMILESNc1cccc(C(=O)NCCN2CCCCC2)c1Cl
InChIInChI=1S/C14H20ClN3O/c15-13-11(5-4-6-12(13)16)14(19)17-7-10-18-8-2-1-3-9-18/h4-6H,1-3,7-10,16H2,(H,17,19)
InChIKeyJMJWPSWMDVBIFL-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.14
Rot. Bonds4

About 3-amino-2-chloro-N-(2-piperidin-1-ylethyl)benzamide

3-amino-2-chloro-N-(2-piperidin-1-ylethyl)benzamide (PubChem CID 112575773) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 3-amino-2-chloro-N-(2-piperidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name3-amino-2-chloro-N-(2-piperidin-1-ylethyl)benzamide
PubChem CID112575773
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name3-amino-2-chloro-N-(2-piperidin-1-ylethyl)benzamide
SMILESNc1cccc(C(=O)NCCN2CCCCC2)c1Cl
InChIInChI=1S/C14H20ClN3O/c15-13-11(5-4-6-12(13)16)14(19)17-7-10-18-8-2-1-3-9-18/h4-6H,1-3,7-10,16H2,(H,17,19)
InChIKeyJMJWPSWMDVBIFL-UHFFFAOYSA-N
XLogP2.14
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-dichloro-N-(2-piperidin-1-ylethyl)benzamide
CID 17173706
2-amino-6-chloro-N-(2-piperidin-1-ylethyl)benzamide
CID 63659172
2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride
CID 2941366
2-amino-N-(5-piperidin-1-ylpentyl)benzamide
CID 119947207
5-amino-2,3-dichloro-N-(2-piperidin-1-ylethyl)benzamide
CID 107184833
N-(2-piperidin-1-ylethyl)-2-propanoylbenzamide
CID 170276492
5-amino-2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 62636573
2-amino-3-nitro-N-(2-piperidin-1-ylethyl)benzamide
CID 115677714
2-(2-pyrrolidin-1-ylethylcarbamoyl)benzoic acid;hydrate
CID 21152769
2-(2-aminophenyl)-N-[2-(azepan-1-yl)ethyl]acetamide
CID 61239604
N-[2-(azepan-1-yl)ethyl]-3-bromo-2-fluorobenzamide
CID 106547835
2-amino-4-bromo-N-(2-piperidin-1-ylethyl)benzamide
CID 79723555

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-chloro-N-(2-piperidin-1-ylethyl)benzamide?
The IUPAC name of 3-amino-2-chloro-N-(2-piperidin-1-ylethyl)benzamide (CID 112575773) is 3-amino-2-chloro-N-(2-piperidin-1-ylethyl)benzamide.
What is the SMILES notation for 3-amino-2-chloro-N-(2-piperidin-1-ylethyl)benzamide?
The canonical SMILES for 3-amino-2-chloro-N-(2-piperidin-1-ylethyl)benzamide is Nc1cccc(C(=O)NCCN2CCCCC2)c1Cl.
What is the InChIKey of 3-amino-2-chloro-N-(2-piperidin-1-ylethyl)benzamide?
The InChIKey is JMJWPSWMDVBIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c15-13-11(5-4-6-12(13)16)14(19)17-7-10-18-8-2-1-3-9-18/h4-6H,1-3,7-10,16H2,(H,17,19).
What are the key properties of 3-amino-2-chloro-N-(2-piperidin-1-ylethyl)benzamide?
3-amino-2-chloro-N-(2-piperidin-1-ylethyl)benzamide has a molecular weight of 281.79 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-chloro-N-(2-piperidin-1-ylethyl)benzamide is sourced from PubChem (CID 112575773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).