4-amino-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]pentanamide;dihydrochloride

C19H33Cl2N3O — CID 120564543

IUPAC4-amino-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]pentanamide;dihydrochloride
SMILESCC(N)CCC(=O)NCc1ccccc1CN1CCCC(C)C1.Cl.Cl
InChIInChI=1S/C19H31N3O.2ClH/c1-15-6-5-11-22(13-15)14-18-8-4-3-7-17(18)12-21-19(23)10-9-16(2)20;;/h3-4,7-8,15-16H,5-6,9-14,20H2,1-2H3,(H,21,23);2*1H
InChIKeyRMCZEEKHORZJJP-UHFFFAOYSA-N
MW390.40 g/mol
LogP3.51
Rot. Bonds7

About 4-amino-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]pentanamide;dihydrochloride

4-amino-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]pentanamide;dihydrochloride (PubChem CID 120564543) has the molecular formula C19H33Cl2N3O and a molecular weight of 390.40 g/mol. Its IUPAC name is 4-amino-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]pentanamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]pentanamide;dihydrochloride
PubChem CID120564543
Molecular FormulaC19H33Cl2N3O
Molecular Weight390.40 g/mol
Exact Mass389.20
IUPAC Name4-amino-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]pentanamide;dihydrochloride
SMILESCC(N)CCC(=O)NCc1ccccc1CN1CCCC(C)C1.Cl.Cl
InChIInChI=1S/C19H31N3O.2ClH/c1-15-6-5-11-22(13-15)14-18-8-4-3-7-17(18)12-21-19(23)10-9-16(2)20;;/h3-4,7-8,15-16H,5-6,9-14,20H2,1-2H3,(H,21,23);2*1H
InChIKeyRMCZEEKHORZJJP-UHFFFAOYSA-N
XLogP3.51
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]pentanamide
CID 120564544
4-amino-N-[[2-(azepan-1-ylmethyl)phenyl]methyl]pentanamide
CID 120565155
4-amino-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]pentanamide;dihydrochloride
CID 120564537
tert-butyl N-[3-[[2-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methylamino]-3-oxopropyl]carbamate
CID 51948460
N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119845542
2-(4-acetamidophenyl)-N-[[2-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]acetamide
CID 51947424
1-amino-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclohexane-1-carboxamide
CID 119845563
4-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzene-1,4-dicarboxamide
CID 60556119
4-(2-fluorophenoxy)-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide
CID 55960505
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 112826529
N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine
CID 62438160
3-amino-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 119845555

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]pentanamide;dihydrochloride?
The IUPAC name of 4-amino-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]pentanamide;dihydrochloride (CID 120564543) is 4-amino-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]pentanamide;dihydrochloride.
What is the SMILES notation for 4-amino-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]pentanamide;dihydrochloride?
The canonical SMILES for 4-amino-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]pentanamide;dihydrochloride is CC(N)CCC(=O)NCc1ccccc1CN1CCCC(C)C1.Cl.Cl.
What is the InChIKey of 4-amino-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]pentanamide;dihydrochloride?
The InChIKey is RMCZEEKHORZJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O.2ClH/c1-15-6-5-11-22(13-15)14-18-8-4-3-7-17(18)12-21-19(23)10-9-16(2)20;;/h3-4,7-8,15-16H,5-6,9-14,20H2,1-2H3,(H,21,23);2*1H.
What are the key properties of 4-amino-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]pentanamide;dihydrochloride?
4-amino-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]pentanamide;dihydrochloride has a molecular weight of 390.40 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]pentanamide;dihydrochloride is sourced from PubChem (CID 120564543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).