3-amino-N,2-dimethyl-N-(1-propylpiperidin-4-yl)benzamide

C17H27N3O — CID 61139109

IUPAC3-amino-N,2-dimethyl-N-(1-propylpiperidin-4-yl)benzamide
SMILESCCCN1CCC(N(C)C(=O)c2cccc(N)c2C)CC1
InChIInChI=1S/C17H27N3O/c1-4-10-20-11-8-14(9-12-20)19(3)17(21)15-6-5-7-16(18)13(15)2/h5-7,14H,4,8-12,18H2,1-3H3
InChIKeyCNPSFRQUWUCFGX-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.52
Rot. Bonds4

About 3-amino-N,2-dimethyl-N-(1-propylpiperidin-4-yl)benzamide

3-amino-N,2-dimethyl-N-(1-propylpiperidin-4-yl)benzamide (PubChem CID 61139109) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-amino-N,2-dimethyl-N-(1-propylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name3-amino-N,2-dimethyl-N-(1-propylpiperidin-4-yl)benzamide
PubChem CID61139109
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name3-amino-N,2-dimethyl-N-(1-propylpiperidin-4-yl)benzamide
SMILESCCCN1CCC(N(C)C(=O)c2cccc(N)c2C)CC1
InChIInChI=1S/C17H27N3O/c1-4-10-20-11-8-14(9-12-20)19(3)17(21)15-6-5-7-16(18)13(15)2/h5-7,14H,4,8-12,18H2,1-3H3
InChIKeyCNPSFRQUWUCFGX-UHFFFAOYSA-N
XLogP2.52
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 61138918
2-chloro-N-methyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide
CID 61051848
4-amino-2-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 61139107
4-bromo-N-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 61041639
N-(1-ethylpiperidin-4-yl)-2-hydroxy-N-methylbenzamide
CID 55002980
3-chloro-N,2-dimethyl-N-(1-methylpiperidin-4-yl)benzamide
CID 110463788
2-amino-N-cyclobutyl-N-methylbenzamide
CID 115747527
2-bromo-N-(1-ethylpiperidin-4-yl)-N-methylbenzamide
CID 54877660
2-amino-N-cyclopropyl-N,3-dimethylbenzamide
CID 43264479
3-amino-N-cyclohexyl-2-hydroxy-N-methylbenzamide
CID 58736495
3-amino-N-cyclopentyl-N-(2-hydroxyethyl)-2-methylbenzamide
CID 61115530
2-amino-3-bromo-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 110451168

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,2-dimethyl-N-(1-propylpiperidin-4-yl)benzamide?
The IUPAC name of 3-amino-N,2-dimethyl-N-(1-propylpiperidin-4-yl)benzamide (CID 61139109) is 3-amino-N,2-dimethyl-N-(1-propylpiperidin-4-yl)benzamide.
What is the SMILES notation for 3-amino-N,2-dimethyl-N-(1-propylpiperidin-4-yl)benzamide?
The canonical SMILES for 3-amino-N,2-dimethyl-N-(1-propylpiperidin-4-yl)benzamide is CCCN1CCC(N(C)C(=O)c2cccc(N)c2C)CC1.
What is the InChIKey of 3-amino-N,2-dimethyl-N-(1-propylpiperidin-4-yl)benzamide?
The InChIKey is CNPSFRQUWUCFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-4-10-20-11-8-14(9-12-20)19(3)17(21)15-6-5-7-16(18)13(15)2/h5-7,14H,4,8-12,18H2,1-3H3.
What are the key properties of 3-amino-N,2-dimethyl-N-(1-propylpiperidin-4-yl)benzamide?
3-amino-N,2-dimethyl-N-(1-propylpiperidin-4-yl)benzamide has a molecular weight of 289.42 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,2-dimethyl-N-(1-propylpiperidin-4-yl)benzamide is sourced from PubChem (CID 61139109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).