4-amino-2-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide

C15H22ClN3O — CID 61241420

IUPAC4-amino-2-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide
SMILESCC1CCN(CCNC(=O)c2ccc(N)cc2Cl)CC1
InChIInChI=1S/C15H22ClN3O/c1-11-4-7-19(8-5-11)9-6-18-15(20)13-3-2-12(17)10-14(13)16/h2-3,10-11H,4-9,17H2,1H3,(H,18,20)
InChIKeyKEIFRXSVUADHKA-UHFFFAOYSA-N
MW295.81 g/mol
LogP2.38
Rot. Bonds4

About 4-amino-2-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide

4-amino-2-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide (PubChem CID 61241420) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is 4-amino-2-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide
PubChem CID61241420
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC Name4-amino-2-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide
SMILESCC1CCN(CCNC(=O)c2ccc(N)cc2Cl)CC1
InChIInChI=1S/C15H22ClN3O/c1-11-4-7-19(8-5-11)9-6-18-15(20)13-3-2-12(17)10-14(13)16/h2-3,10-11H,4-9,17H2,1H3,(H,18,20)
InChIKeyKEIFRXSVUADHKA-UHFFFAOYSA-N
XLogP2.38
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 52.38
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

4-amino-2-chloro-N-(2-thiomorpholin-4-ylethyl)benzamide;dihydrochloride
CID 119853632
3-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide
CID 61241803
5-amino-2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 62636573
2-amino-4-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 61111407
2-bromo-5-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide
CID 78904784
2,5-difluoro-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide
CID 47036202
4-amino-2-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 61139107
4-amino-2-chloro-N-[2-[cyclopropyl(ethyl)amino]ethyl]benzamide;dihydrochloride
CID 119874360
2-(5-amino-2-pyridinyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]acetamide;dihydrochloride
CID 120642533
4-amino-2-chloro-N-(3-hydroxypropyl)benzamide
CID 43167675
4-amino-2-chloro-N-[2-(oxan-4-yl)ethyl]benzamide
CID 119724818
4-amino-2-chloro-N-(2-pyrazol-1-ylethyl)benzamide
CID 54951477

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide?
The IUPAC name of 4-amino-2-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide (CID 61241420) is 4-amino-2-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide.
What is the SMILES notation for 4-amino-2-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide?
The canonical SMILES for 4-amino-2-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide is CC1CCN(CCNC(=O)c2ccc(N)cc2Cl)CC1.
What is the InChIKey of 4-amino-2-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide?
The InChIKey is KEIFRXSVUADHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-11-4-7-19(8-5-11)9-6-18-15(20)13-3-2-12(17)10-14(13)16/h2-3,10-11H,4-9,17H2,1H3,(H,18,20).
What are the key properties of 4-amino-2-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide?
4-amino-2-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide has a molecular weight of 295.81 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide is sourced from PubChem (CID 61241420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).