N-(2-chlorophenyl)-3-[methyl(piperidin-3-yl)amino]propanamide

C15H22ClN3O — CID 63644278

IUPACN-(2-chlorophenyl)-3-[methyl(piperidin-3-yl)amino]propanamide
SMILESCN(CCC(=O)Nc1ccccc1Cl)C1CCCNC1
InChIInChI=1S/C15H22ClN3O/c1-19(12-5-4-9-17-11-12)10-8-15(20)18-14-7-3-2-6-13(14)16/h2-3,6-7,12,17H,4-5,8-11H2,1H3,(H,18,20)
InChIKeyAHWKFRYHHCQVMK-UHFFFAOYSA-N
MW295.81 g/mol
LogP2.35
Rot. Bonds5

About N-(2-chlorophenyl)-3-[methyl(piperidin-3-yl)amino]propanamide

N-(2-chlorophenyl)-3-[methyl(piperidin-3-yl)amino]propanamide (PubChem CID 63644278) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-[methyl(piperidin-3-yl)amino]propanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-[methyl(piperidin-3-yl)amino]propanamide
PubChem CID63644278
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC NameN-(2-chlorophenyl)-3-[methyl(piperidin-3-yl)amino]propanamide
SMILESCN(CCC(=O)Nc1ccccc1Cl)C1CCCNC1
InChIInChI=1S/C15H22ClN3O/c1-19(12-5-4-9-17-11-12)10-8-15(20)18-14-7-3-2-6-13(14)16/h2-3,6-7,12,17H,4-5,8-11H2,1H3,(H,18,20)
InChIKeyAHWKFRYHHCQVMK-UHFFFAOYSA-N
XLogP2.35
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[azetidin-3-yl(methyl)amino]-N-(2-chlorophenyl)propanamide
CID 66186658
N-(2-fluorophenyl)-3-[methyl(piperidin-3-yl)amino]propanamide
CID 63642324
N-(2,5-dichlorophenyl)-3-[methyl(pyrrolidin-3-yl)amino]propanamide
CID 63297992
3-[(4-aminocyclohexyl)-methylamino]-N-(2-chlorophenyl)propanamide
CID 79112697
N-(2-chlorophenyl)-3-[(1,1-dioxothiolan-3-yl)-methylamino]propanamide
CID 51300755
3-[azetidin-3-yl(methyl)amino]-N-(2,6-dichlorophenyl)propanamide
CID 66185509
N-(2-chlorophenyl)-3-[methyl(piperidin-2-ylmethyl)amino]propanamide
CID 106635404
N-(2-chlorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670792
N-(2-chlorophenyl)-2-[2-[cyclopropyl(methyl)amino]ethylamino]acetamide
CID 55140260
2-[azetidin-3-yl(ethyl)amino]-N-(2-chlorophenyl)acetamide
CID 66183463
1-(2-chlorophenyl)-3-[(3R)-piperidin-3-yl]urea
CID 113436699
3-[cycloheptyl(methyl)amino]-N-(2-phenylphenyl)propanamide
CID 55482831

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-[methyl(piperidin-3-yl)amino]propanamide?
The IUPAC name of N-(2-chlorophenyl)-3-[methyl(piperidin-3-yl)amino]propanamide (CID 63644278) is N-(2-chlorophenyl)-3-[methyl(piperidin-3-yl)amino]propanamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-[methyl(piperidin-3-yl)amino]propanamide?
The canonical SMILES for N-(2-chlorophenyl)-3-[methyl(piperidin-3-yl)amino]propanamide is CN(CCC(=O)Nc1ccccc1Cl)C1CCCNC1.
What is the InChIKey of N-(2-chlorophenyl)-3-[methyl(piperidin-3-yl)amino]propanamide?
The InChIKey is AHWKFRYHHCQVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-19(12-5-4-9-17-11-12)10-8-15(20)18-14-7-3-2-6-13(14)16/h2-3,6-7,12,17H,4-5,8-11H2,1H3,(H,18,20).
What are the key properties of N-(2-chlorophenyl)-3-[methyl(piperidin-3-yl)amino]propanamide?
N-(2-chlorophenyl)-3-[methyl(piperidin-3-yl)amino]propanamide has a molecular weight of 295.81 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-[methyl(piperidin-3-yl)amino]propanamide is sourced from PubChem (CID 63644278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).