3-amino-N-[3-(4-methylpiperidin-1-yl)phenyl]butanamide;dihydrochloride

C16H27Cl2N3O — CID 119892250

IUPAC3-amino-N-[3-(4-methylpiperidin-1-yl)phenyl]butanamide;dihydrochloride
SMILESCC(N)CC(=O)Nc1cccc(N2CCC(C)CC2)c1.Cl.Cl
InChIInChI=1S/C16H25N3O.2ClH/c1-12-6-8-19(9-7-12)15-5-3-4-14(11-15)18-16(20)10-13(2)17;;/h3-5,11-13H,6-10,17H2,1-2H3,(H,18,20);2*1H
InChIKeyACPGRSVXRQTDIO-UHFFFAOYSA-N
MW348.32 g/mol
LogP3.44
Rot. Bonds4

About 3-amino-N-[3-(4-methylpiperidin-1-yl)phenyl]butanamide;dihydrochloride

3-amino-N-[3-(4-methylpiperidin-1-yl)phenyl]butanamide;dihydrochloride (PubChem CID 119892250) has the molecular formula C16H27Cl2N3O and a molecular weight of 348.32 g/mol. Its IUPAC name is 3-amino-N-[3-(4-methylpiperidin-1-yl)phenyl]butanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[3-(4-methylpiperidin-1-yl)phenyl]butanamide;dihydrochloride
PubChem CID119892250
Molecular FormulaC16H27Cl2N3O
Molecular Weight348.32 g/mol
Exact Mass347.15
IUPAC Name3-amino-N-[3-(4-methylpiperidin-1-yl)phenyl]butanamide;dihydrochloride
SMILESCC(N)CC(=O)Nc1cccc(N2CCC(C)CC2)c1.Cl.Cl
InChIInChI=1S/C16H25N3O.2ClH/c1-12-6-8-19(9-7-12)15-5-3-4-14(11-15)18-16(20)10-13(2)17;;/h3-5,11-13H,6-10,17H2,1-2H3,(H,18,20);2*1H
InChIKeyACPGRSVXRQTDIO-UHFFFAOYSA-N
XLogP3.44
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(4-methylpiperidin-1-yl)phenyl]-3-[(2R)-2-sulfamoylpropyl]urea
CID 97253655
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CID 119710490
1-(3-hydroxybutyl)-3-[3-(4-methylpiperidin-1-yl)phenyl]urea
CID 111443368
4-amino-N-[3-(azepan-1-yl)phenyl]pentanamide
CID 120565751
(2S,5R)-5-(aminomethyl)-N-[3-(4-methylpiperidin-1-yl)phenyl]oxolane-2-carboxamide;dihydrochloride
CID 120800987
3-amino-N-[3-(carbamoylamino)phenyl]butanamide;hydrochloride
CID 119702026
3-amino-N-(1-phenylpiperidin-4-yl)butanamide;dihydrochloride
CID 119863025
3-amino-N-(3-hydroxyphenyl)butanamide
CID 61165718
2-amino-N-[3-(4-methylpiperidin-1-yl)phenyl]-2-phenylpropanamide
CID 120597159
3-[(2-amino-2-methylpropanoyl)amino]-N-(3-pyrrolidin-1-ylphenyl)butanamide;dihydrochloride
CID 119872888
3-amino-N-[3-[[2-(azepan-1-yl)acetyl]amino]phenyl]butanamide
CID 119870425
1-(4-hydroxycyclohexyl)-3-[3-(4-methylpiperidin-1-yl)phenyl]urea
CID 111443366

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(4-methylpiperidin-1-yl)phenyl]butanamide;dihydrochloride?
The IUPAC name of 3-amino-N-[3-(4-methylpiperidin-1-yl)phenyl]butanamide;dihydrochloride (CID 119892250) is 3-amino-N-[3-(4-methylpiperidin-1-yl)phenyl]butanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[3-(4-methylpiperidin-1-yl)phenyl]butanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[3-(4-methylpiperidin-1-yl)phenyl]butanamide;dihydrochloride is CC(N)CC(=O)Nc1cccc(N2CCC(C)CC2)c1.Cl.Cl.
What is the InChIKey of 3-amino-N-[3-(4-methylpiperidin-1-yl)phenyl]butanamide;dihydrochloride?
The InChIKey is ACPGRSVXRQTDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O.2ClH/c1-12-6-8-19(9-7-12)15-5-3-4-14(11-15)18-16(20)10-13(2)17;;/h3-5,11-13H,6-10,17H2,1-2H3,(H,18,20);2*1H.
What are the key properties of 3-amino-N-[3-(4-methylpiperidin-1-yl)phenyl]butanamide;dihydrochloride?
3-amino-N-[3-(4-methylpiperidin-1-yl)phenyl]butanamide;dihydrochloride has a molecular weight of 348.32 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(4-methylpiperidin-1-yl)phenyl]butanamide;dihydrochloride is sourced from PubChem (CID 119892250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).