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

C19H33Cl2N3O — CID 120564537

IUPAC4-amino-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]pentanamide;dihydrochloride
SMILESCC(N)CCC(=O)NCc1ccccc1CN1CCCCC1C.Cl.Cl
InChIInChI=1S/C19H31N3O.2ClH/c1-15(20)10-11-19(23)21-13-17-8-3-4-9-18(17)14-22-12-6-5-7-16(22)2;;/h3-4,8-9,15-16H,5-7,10-14,20H2,1-2H3,(H,21,23);2*1H
InChIKeyZITSGPQPSLNHGI-UHFFFAOYSA-N
MW390.40 g/mol
LogP3.65
Rot. Bonds7

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

4-amino-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]pentanamide;dihydrochloride (PubChem CID 120564537) has the molecular formula C19H33Cl2N3O and a molecular weight of 390.40 g/mol. Its IUPAC name is 4-amino-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]pentanamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]pentanamide;dihydrochloride
PubChem CID120564537
Molecular FormulaC19H33Cl2N3O
Molecular Weight390.40 g/mol
Exact Mass389.20
IUPAC Name4-amino-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]pentanamide;dihydrochloride
SMILESCC(N)CCC(=O)NCc1ccccc1CN1CCCCC1C.Cl.Cl
InChIInChI=1S/C19H31N3O.2ClH/c1-15(20)10-11-19(23)21-13-17-8-3-4-9-18(17)14-22-12-6-5-7-16(22)2;;/h3-4,8-9,15-16H,5-7,10-14,20H2,1-2H3,(H,21,23);2*1H
InChIKeyZITSGPQPSLNHGI-UHFFFAOYSA-N
XLogP3.65
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 ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide;dihydrochloride
CID 119845332
2-(4-aminophenyl)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide;dihydrochloride
CID 119845308
4-amino-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]pentanamide;dihydrochloride
CID 120564543
4-amino-N-[[2-(azepan-1-ylmethyl)phenyl]methyl]pentanamide
CID 120565155
2-methyl-3-(methylamino)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide;dihydrochloride
CID 119845340
4-amino-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]pentanamide
CID 120564544
N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-pyrazol-1-ylpropanamide
CID 86990869
2-(2-methoxyphenyl)-N-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]acetamide
CID 51947454
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 112826534
2-(3-methoxyphenyl)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 42961658
4-amino-N-[(2-chlorophenyl)methyl]pentanamide;hydrochloride
CID 120558722
2-[2-[(4-aminopentanoylamino)methyl]phenyl]acetic acid
CID 81317700

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]pentanamide;dihydrochloride?
The IUPAC name of 4-amino-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]pentanamide;dihydrochloride (CID 120564537) is 4-amino-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]pentanamide;dihydrochloride.
What is the SMILES notation for 4-amino-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]pentanamide;dihydrochloride?
The canonical SMILES for 4-amino-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]pentanamide;dihydrochloride is CC(N)CCC(=O)NCc1ccccc1CN1CCCCC1C.Cl.Cl.
What is the InChIKey of 4-amino-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]pentanamide;dihydrochloride?
The InChIKey is ZITSGPQPSLNHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O.2ClH/c1-15(20)10-11-19(23)21-13-17-8-3-4-9-18(17)14-22-12-6-5-7-16(22)2;;/h3-4,8-9,15-16H,5-7,10-14,20H2,1-2H3,(H,21,23);2*1H.
What are the key properties of 4-amino-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]pentanamide;dihydrochloride?
4-amino-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]pentanamide;dihydrochloride has a molecular weight of 390.40 g/mol, XLogP of 3.65, 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-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]pentanamide;dihydrochloride is sourced from PubChem (CID 120564537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).