2-methyl-3-(methylamino)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide;dihydrochloride

C19H33Cl2N3O — CID 119845340

IUPAC2-methyl-3-(methylamino)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide;dihydrochloride
SMILESCNCC(C)C(=O)NCc1ccccc1CN1CCCCC1C.Cl.Cl
InChIInChI=1S/C19H31N3O.2ClH/c1-15(12-20-3)19(23)21-13-17-9-4-5-10-18(17)14-22-11-7-6-8-16(22)2;;/h4-5,9-10,15-16,20H,6-8,11-14H2,1-3H3,(H,21,23);2*1H
InChIKeyKASVMZQKGINKCR-UHFFFAOYSA-N
MW390.40 g/mol
LogP3.38
Rot. Bonds7

About 2-methyl-3-(methylamino)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide;dihydrochloride

2-methyl-3-(methylamino)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide;dihydrochloride (PubChem CID 119845340) has the molecular formula C19H33Cl2N3O and a molecular weight of 390.40 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide;dihydrochloride.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide;dihydrochloride
PubChem CID119845340
Molecular FormulaC19H33Cl2N3O
Molecular Weight390.40 g/mol
Exact Mass389.20
IUPAC Name2-methyl-3-(methylamino)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide;dihydrochloride
SMILESCNCC(C)C(=O)NCc1ccccc1CN1CCCCC1C.Cl.Cl
InChIInChI=1S/C19H31N3O.2ClH/c1-15(12-20-3)19(23)21-13-17-9-4-5-10-18(17)14-22-11-7-6-8-16(22)2;;/h4-5,9-10,15-16,20H,6-8,11-14H2,1-3H3,(H,21,23);2*1H
InChIKeyKASVMZQKGINKCR-UHFFFAOYSA-N
XLogP3.38
TPSA44.37 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 ≤ 53.38
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
4-amino-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]pentanamide;dihydrochloride
CID 120564537
2-(4-aminophenyl)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide;dihydrochloride
CID 119845308
2-(2-methoxyphenyl)-N-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]acetamide
CID 51947454
2-methyl-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 86990672
1-cyano-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclohexane-1-carboxamide
CID 60584154
(4S)-N-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 97092356
N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 71877885
1-(2,2-dimethylpropanoyl)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 46470618
2-methyl-3-(methylamino)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 119834774
N-[(2-cyclopentyloxyphenyl)methyl]-2-methyl-3-(methylamino)propanamide
CID 119714426
N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-pyridin-2-ylprop-2-enamide
CID 103598117

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide;dihydrochloride?
The IUPAC name of 2-methyl-3-(methylamino)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide;dihydrochloride (CID 119845340) is 2-methyl-3-(methylamino)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide;dihydrochloride.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide;dihydrochloride?
The canonical SMILES for 2-methyl-3-(methylamino)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide;dihydrochloride is CNCC(C)C(=O)NCc1ccccc1CN1CCCCC1C.Cl.Cl.
What is the InChIKey of 2-methyl-3-(methylamino)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide;dihydrochloride?
The InChIKey is KASVMZQKGINKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O.2ClH/c1-15(12-20-3)19(23)21-13-17-9-4-5-10-18(17)14-22-11-7-6-8-16(22)2;;/h4-5,9-10,15-16,20H,6-8,11-14H2,1-3H3,(H,21,23);2*1H.
What are the key properties of 2-methyl-3-(methylamino)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide;dihydrochloride?
2-methyl-3-(methylamino)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide;dihydrochloride has a molecular weight of 390.40 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide;dihydrochloride is sourced from PubChem (CID 119845340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).