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

C19H33Cl2N3O2 — CID 120595227

IUPAC4-amino-3-methoxy-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide;dihydrochloride
SMILESCOC(CN)CC(=O)NCc1ccc(CN2CCCC(C)C2)cc1.Cl.Cl
InChIInChI=1S/C19H31N3O2.2ClH/c1-15-4-3-9-22(13-15)14-17-7-5-16(6-8-17)12-21-19(23)10-18(11-20)24-2;;/h5-8,15,18H,3-4,9-14,20H2,1-2H3,(H,21,23);2*1H
InChIKeyHTVXEFSUWROKGN-UHFFFAOYSA-N
MW406.40 g/mol
LogP2.74
Rot. Bonds8

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

4-amino-3-methoxy-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide;dihydrochloride (PubChem CID 120595227) has the molecular formula C19H33Cl2N3O2 and a molecular weight of 406.40 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-3-methoxy-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide;dihydrochloride
PubChem CID120595227
Molecular FormulaC19H33Cl2N3O2
Molecular Weight406.40 g/mol
Exact Mass405.19
IUPAC Name4-amino-3-methoxy-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide;dihydrochloride
SMILESCOC(CN)CC(=O)NCc1ccc(CN2CCCC(C)C2)cc1.Cl.Cl
InChIInChI=1S/C19H31N3O2.2ClH/c1-15-4-3-9-22(13-15)14-17-7-5-16(6-8-17)12-21-19(23)10-18(11-20)24-2;;/h5-8,15,18H,3-4,9-14,20H2,1-2H3,(H,21,23);2*1H
InChIKeyHTVXEFSUWROKGN-UHFFFAOYSA-N
XLogP2.74
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.40
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-methoxy-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide
CID 120595212
4-amino-3-methoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide;dihydrochloride
CID 120594872
4-amino-N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-methoxybutanamide
CID 120597557
4-amino-3-methoxy-N-[4-(3-methylpiperidin-1-yl)butyl]butanamide
CID 120595508
2-ethyl-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide
CID 60556525
methyl 4-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methylcarbamoyl]benzoate
CID 46474036
1-amino-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclohexane-1-carboxamide
CID 119845495
4-amino-3-methoxy-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanamide
CID 120595204
methyl 4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzoate
CID 782095
N-[(4-methoxyphenyl)methyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 8903596
4-amino-3-methoxy-N-[[4-(methoxymethyl)phenyl]methyl]butanamide;hydrochloride
CID 120588543
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 87018008

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide;dihydrochloride?
The IUPAC name of 4-amino-3-methoxy-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide;dihydrochloride (CID 120595227) is 4-amino-3-methoxy-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide;dihydrochloride.
What is the SMILES notation for 4-amino-3-methoxy-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide;dihydrochloride?
The canonical SMILES for 4-amino-3-methoxy-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide;dihydrochloride is COC(CN)CC(=O)NCc1ccc(CN2CCCC(C)C2)cc1.Cl.Cl.
What is the InChIKey of 4-amino-3-methoxy-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide;dihydrochloride?
The InChIKey is HTVXEFSUWROKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2.2ClH/c1-15-4-3-9-22(13-15)14-17-7-5-16(6-8-17)12-21-19(23)10-18(11-20)24-2;;/h5-8,15,18H,3-4,9-14,20H2,1-2H3,(H,21,23);2*1H.
What are the key properties of 4-amino-3-methoxy-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide;dihydrochloride?
4-amino-3-methoxy-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide;dihydrochloride has a molecular weight of 406.40 g/mol, XLogP of 2.74, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide;dihydrochloride is sourced from PubChem (CID 120595227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).