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

C19H33Cl2N3O — CID 120502841

IUPAC3-amino-2-methyl-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide;dihydrochloride
SMILESCC1CCN(Cc2ccc(CNC(=O)C(C)C(C)N)cc2)CC1.Cl.Cl
InChIInChI=1S/C19H31N3O.2ClH/c1-14-8-10-22(11-9-14)13-18-6-4-17(5-7-18)12-21-19(23)15(2)16(3)20;;/h4-7,14-16H,8-13,20H2,1-3H3,(H,21,23);2*1H
InChIKeyHHCREBLSOARPEH-UHFFFAOYSA-N
MW390.40 g/mol
LogP3.36
Rot. Bonds6

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

3-amino-2-methyl-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide;dihydrochloride (PubChem CID 120502841) has the molecular formula C19H33Cl2N3O and a molecular weight of 390.40 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-2-methyl-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide;dihydrochloride
PubChem CID120502841
Molecular FormulaC19H33Cl2N3O
Molecular Weight390.40 g/mol
Exact Mass389.20
IUPAC Name3-amino-2-methyl-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide;dihydrochloride
SMILESCC1CCN(Cc2ccc(CNC(=O)C(C)C(C)N)cc2)CC1.Cl.Cl
InChIInChI=1S/C19H31N3O.2ClH/c1-14-8-10-22(11-9-14)13-18-6-4-17(5-7-18)12-21-19(23)15(2)16(3)20;;/h4-7,14-16H,8-13,20H2,1-3H3,(H,21,23);2*1H
InChIKeyHHCREBLSOARPEH-UHFFFAOYSA-N
XLogP3.36
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3,3-dimethyl-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide;dihydrochloride
CID 119845096
2-amino-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride
CID 119845072
3-amino-2-methyl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide;dihydrochloride
CID 120502898
2-chloro-N-[3-methyl-1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-1-oxobutan-2-yl]benzamide
CID 55567492
3-amino-N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2-methylbutanamide
CID 120504323
2-(cyclopropylmethylamino)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide;dihydrochloride
CID 119845098
7-amino-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]heptanamide;dihydrochloride
CID 119845060
4-amino-3-methoxy-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide
CID 120595212
N-benzyl-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 43918767
3-amino-2-methyl-N-[4-(4-methylpiperidin-1-yl)butyl]butanamide
CID 120503040
4-methyl-1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine
CID 53443850
2-acetamido-3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanamide
CID 42962486

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide;dihydrochloride?
The IUPAC name of 3-amino-2-methyl-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide;dihydrochloride (CID 120502841) is 3-amino-2-methyl-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide;dihydrochloride.
What is the SMILES notation for 3-amino-2-methyl-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide;dihydrochloride?
The canonical SMILES for 3-amino-2-methyl-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide;dihydrochloride is CC1CCN(Cc2ccc(CNC(=O)C(C)C(C)N)cc2)CC1.Cl.Cl.
What is the InChIKey of 3-amino-2-methyl-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide;dihydrochloride?
The InChIKey is HHCREBLSOARPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O.2ClH/c1-14-8-10-22(11-9-14)13-18-6-4-17(5-7-18)12-21-19(23)15(2)16(3)20;;/h4-7,14-16H,8-13,20H2,1-3H3,(H,21,23);2*1H.
What are the key properties of 3-amino-2-methyl-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide;dihydrochloride?
3-amino-2-methyl-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide;dihydrochloride has a molecular weight of 390.40 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide;dihydrochloride is sourced from PubChem (CID 120502841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).