2-amino-N-(1-tert-butylpiperidin-4-yl)-3-chlorobenzamide

C16H24ClN3O — CID 115540148

IUPAC2-amino-N-(1-tert-butylpiperidin-4-yl)-3-chlorobenzamide
SMILESCC(C)(C)N1CCC(NC(=O)c2cccc(Cl)c2N)CC1
InChIInChI=1S/C16H24ClN3O/c1-16(2,3)20-9-7-11(8-10-20)19-15(21)12-5-4-6-13(17)14(12)18/h4-6,11H,7-10,18H2,1-3H3,(H,19,21)
InChIKeyBPFRRTSJEBHTKT-UHFFFAOYSA-N
MW309.84 g/mol
LogP2.91
Rot. Bonds2

About 2-amino-N-(1-tert-butylpiperidin-4-yl)-3-chlorobenzamide

2-amino-N-(1-tert-butylpiperidin-4-yl)-3-chlorobenzamide (PubChem CID 115540148) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is 2-amino-N-(1-tert-butylpiperidin-4-yl)-3-chlorobenzamide.

Molecular Properties

Compound Name2-amino-N-(1-tert-butylpiperidin-4-yl)-3-chlorobenzamide
PubChem CID115540148
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC Name2-amino-N-(1-tert-butylpiperidin-4-yl)-3-chlorobenzamide
SMILESCC(C)(C)N1CCC(NC(=O)c2cccc(Cl)c2N)CC1
InChIInChI=1S/C16H24ClN3O/c1-16(2,3)20-9-7-11(8-10-20)19-15(21)12-5-4-6-13(17)14(12)18/h4-6,11H,7-10,18H2,1-3H3,(H,19,21)
InChIKeyBPFRRTSJEBHTKT-UHFFFAOYSA-N
XLogP2.91
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 52.91
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-amino-3-chloro-N-(1-ethylpiperidin-4-yl)benzamide
CID 115540437
3-amino-N-(1-tert-butylpiperidin-4-yl)-2-methylbenzamide
CID 61101990
N-(1-tert-butylpiperidin-4-yl)-2,3-difluorobenzamide
CID 62649219
5-bromo-N-(1-tert-butylpiperidin-4-yl)-2-chlorobenzamide
CID 61034621
2-amino-3-chloro-N-(3-methylcyclopentyl)benzamide
CID 114542613
3-amino-N-(1-tert-butylpiperidin-4-yl)benzamide
CID 60944646
2-amino-3-chloro-N-(3,3,5,5-tetramethylcyclohexyl)benzamide
CID 103965097
N-(1-tert-butylpiperidin-4-yl)benzamide
CID 61036493
2-bromo-N-(1-tert-butylpiperidin-4-yl)pyridine-3-carboxamide
CID 103754728
2-amino-3-chloro-N-(3,3-dimethylcyclohexyl)benzamide
CID 115540906
4-amino-N-(1-tert-butylpiperidin-4-yl)-3-methylbenzamide
CID 60945933
3-chloro-2-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide
CID 96583038

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-tert-butylpiperidin-4-yl)-3-chlorobenzamide?
The IUPAC name of 2-amino-N-(1-tert-butylpiperidin-4-yl)-3-chlorobenzamide (CID 115540148) is 2-amino-N-(1-tert-butylpiperidin-4-yl)-3-chlorobenzamide.
What is the SMILES notation for 2-amino-N-(1-tert-butylpiperidin-4-yl)-3-chlorobenzamide?
The canonical SMILES for 2-amino-N-(1-tert-butylpiperidin-4-yl)-3-chlorobenzamide is CC(C)(C)N1CCC(NC(=O)c2cccc(Cl)c2N)CC1.
What is the InChIKey of 2-amino-N-(1-tert-butylpiperidin-4-yl)-3-chlorobenzamide?
The InChIKey is BPFRRTSJEBHTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-16(2,3)20-9-7-11(8-10-20)19-15(21)12-5-4-6-13(17)14(12)18/h4-6,11H,7-10,18H2,1-3H3,(H,19,21).
What are the key properties of 2-amino-N-(1-tert-butylpiperidin-4-yl)-3-chlorobenzamide?
2-amino-N-(1-tert-butylpiperidin-4-yl)-3-chlorobenzamide has a molecular weight of 309.84 g/mol, XLogP of 2.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-tert-butylpiperidin-4-yl)-3-chlorobenzamide is sourced from PubChem (CID 115540148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).