3-amino-N-[[1-[3-(4-chlorophenoxy)propanoyl]piperidin-2-yl]methyl]propanamide;hydrochloride

C18H27Cl2N3O3 — CID 120578788

IUPAC3-amino-N-[[1-[3-(4-chlorophenoxy)propanoyl]piperidin-2-yl]methyl]propanamide;hydrochloride
SMILESCl.NCCC(=O)NCC1CCCCN1C(=O)CCOc1ccc(Cl)cc1
InChIInChI=1S/C18H26ClN3O3.ClH/c19-14-4-6-16(7-5-14)25-12-9-18(24)22-11-2-1-3-15(22)13-21-17(23)8-10-20;/h4-7,15H,1-3,8-13,20H2,(H,21,23);1H
InChIKeyOERHZSYBAVPGRB-UHFFFAOYSA-N
MW404.34 g/mol
LogP2.38
Rot. Bonds8

About 3-amino-N-[[1-[3-(4-chlorophenoxy)propanoyl]piperidin-2-yl]methyl]propanamide;hydrochloride

3-amino-N-[[1-[3-(4-chlorophenoxy)propanoyl]piperidin-2-yl]methyl]propanamide;hydrochloride (PubChem CID 120578788) has the molecular formula C18H27Cl2N3O3 and a molecular weight of 404.34 g/mol. Its IUPAC name is 3-amino-N-[[1-[3-(4-chlorophenoxy)propanoyl]piperidin-2-yl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[1-[3-(4-chlorophenoxy)propanoyl]piperidin-2-yl]methyl]propanamide;hydrochloride
PubChem CID120578788
Molecular FormulaC18H27Cl2N3O3
Molecular Weight404.34 g/mol
Exact Mass403.14
IUPAC Name3-amino-N-[[1-[3-(4-chlorophenoxy)propanoyl]piperidin-2-yl]methyl]propanamide;hydrochloride
SMILESCl.NCCC(=O)NCC1CCCCN1C(=O)CCOc1ccc(Cl)cc1
InChIInChI=1S/C18H26ClN3O3.ClH/c19-14-4-6-16(7-5-14)25-12-9-18(24)22-11-2-1-3-15(22)13-21-17(23)8-10-20;/h4-7,15H,1-3,8-13,20H2,(H,21,23);1H
InChIKeyOERHZSYBAVPGRB-UHFFFAOYSA-N
XLogP2.38
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.34
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-[[1-[3-(4-chlorophenoxy)propanoyl]piperidin-2-yl]methyl]propanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-[[1-[3-(4-fluorophenoxy)propanoyl]piperidin-2-yl]methyl]propanamide
CID 120578777
3-amino-N-[[1-[3-(3,4-dimethylphenoxy)propanoyl]piperidin-2-yl]methyl]propanamide
CID 120578155
3-amino-N-[[1-[4-(4-fluorophenoxy)butanoyl]piperidin-2-yl]methyl]propanamide
CID 120579145
3-amino-N-[[1-[2-(4-chlorophenyl)acetyl]piperidin-2-yl]methyl]propanamide
CID 120578635
3-amino-N-[[1-[3-(2-fluorophenoxy)propanoyl]piperidin-2-yl]methyl]propanamide
CID 120580345
3-amino-N-[[1-[2-[(4-chlorophenyl)methylsulfanyl]acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578888
3-amino-N-[[1-(3-methoxypropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579984
3-amino-N-[[1-[4-(2-methoxyethoxy)benzoyl]piperidin-2-yl]methyl]propanamide
CID 120579907
3-amino-N-[[1-[4-(3-methylbutoxy)benzoyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578236
3-amino-N-[[1-(4-oxo-4-phenylbutanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579480
3-amino-N-[[1-(3-cyclopentylpropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579242
3-amino-N-[[1-(4-prop-2-enoxybenzoyl)piperidin-2-yl]methyl]propanamide
CID 120579129

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-[3-(4-chlorophenoxy)propanoyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[[1-[3-(4-chlorophenoxy)propanoyl]piperidin-2-yl]methyl]propanamide;hydrochloride (CID 120578788) is 3-amino-N-[[1-[3-(4-chlorophenoxy)propanoyl]piperidin-2-yl]methyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[1-[3-(4-chlorophenoxy)propanoyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[1-[3-(4-chlorophenoxy)propanoyl]piperidin-2-yl]methyl]propanamide;hydrochloride is Cl.NCCC(=O)NCC1CCCCN1C(=O)CCOc1ccc(Cl)cc1.
What is the InChIKey of 3-amino-N-[[1-[3-(4-chlorophenoxy)propanoyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
The InChIKey is OERHZSYBAVPGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O3.ClH/c19-14-4-6-16(7-5-14)25-12-9-18(24)22-11-2-1-3-15(22)13-21-17(23)8-10-20;/h4-7,15H,1-3,8-13,20H2,(H,21,23);1H.
What are the key properties of 3-amino-N-[[1-[3-(4-chlorophenoxy)propanoyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
3-amino-N-[[1-[3-(4-chlorophenoxy)propanoyl]piperidin-2-yl]methyl]propanamide;hydrochloride has a molecular weight of 404.34 g/mol, XLogP of 2.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-[3-(4-chlorophenoxy)propanoyl]piperidin-2-yl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 120578788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).