3-amino-N-[[1-[2-(2-methylbenzimidazol-1-yl)acetyl]piperidin-2-yl]methyl]propanamide;dihydrochloride

C19H29Cl2N5O2 — CID 120578364

IUPAC3-amino-N-[[1-[2-(2-methylbenzimidazol-1-yl)acetyl]piperidin-2-yl]methyl]propanamide;dihydrochloride
SMILESCc1nc2ccccc2n1CC(=O)N1CCCCC1CNC(=O)CCN.Cl.Cl
InChIInChI=1S/C19H27N5O2.2ClH/c1-14-22-16-7-2-3-8-17(16)24(14)13-19(26)23-11-5-4-6-15(23)12-21-18(25)9-10-20;;/h2-3,7-8,15H,4-6,9-13,20H2,1H3,(H,21,25);2*1H
InChIKeyOLSZJCDPFVQKKW-UHFFFAOYSA-N
MW430.38 g/mol
LogP2.03
Rot. Bonds6

About 3-amino-N-[[1-[2-(2-methylbenzimidazol-1-yl)acetyl]piperidin-2-yl]methyl]propanamide;dihydrochloride

3-amino-N-[[1-[2-(2-methylbenzimidazol-1-yl)acetyl]piperidin-2-yl]methyl]propanamide;dihydrochloride (PubChem CID 120578364) has the molecular formula C19H29Cl2N5O2 and a molecular weight of 430.38 g/mol. Its IUPAC name is 3-amino-N-[[1-[2-(2-methylbenzimidazol-1-yl)acetyl]piperidin-2-yl]methyl]propanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[[1-[2-(2-methylbenzimidazol-1-yl)acetyl]piperidin-2-yl]methyl]propanamide;dihydrochloride
PubChem CID120578364
Molecular FormulaC19H29Cl2N5O2
Molecular Weight430.38 g/mol
Exact Mass429.17
IUPAC Name3-amino-N-[[1-[2-(2-methylbenzimidazol-1-yl)acetyl]piperidin-2-yl]methyl]propanamide;dihydrochloride
SMILESCc1nc2ccccc2n1CC(=O)N1CCCCC1CNC(=O)CCN.Cl.Cl
InChIInChI=1S/C19H27N5O2.2ClH/c1-14-22-16-7-2-3-8-17(16)24(14)13-19(26)23-11-5-4-6-15(23)12-21-18(25)9-10-20;;/h2-3,7-8,15H,4-6,9-13,20H2,1H3,(H,21,25);2*1H
InChIKeyOLSZJCDPFVQKKW-UHFFFAOYSA-N
XLogP2.03
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.38
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-amino-N-[[1-[2-(2-methylbenzimidazol-1-yl)acetyl]piperidin-2-yl]methyl]propanamide;dihydrochloride with MolForge

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Related Compounds

1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone
CID 119650372
3-amino-N-[[1-[2-(4-methylphenyl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579244
3-amino-N-[[1-(4-oxo-4-phenylbutanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579480
3-amino-N-[[1-(5-methylthiophene-2-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578938
3-amino-N-[[1-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]piperidin-2-yl]methyl]propanamide
CID 120580017
3-amino-N-[[1-[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120580056
3-amino-N-[[1-(4-phenylbutanoyl)piperidin-2-yl]methyl]propanamide
CID 120579429
3-amino-N-[[1-[3-(4-oxoquinazolin-3-yl)propanoyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579742
3-amino-N-[[1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579736
3-amino-N-[[1-[3-(2-methoxyphenyl)propanoyl]piperidin-2-yl]methyl]propanamide
CID 120578219
3-amino-N-[[1-(3-pyridin-2-ylpropanoyl)piperidin-2-yl]methyl]propanamide
CID 120578303
3-amino-N-[[1-(azetidine-3-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride
CID 122084349

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-[2-(2-methylbenzimidazol-1-yl)acetyl]piperidin-2-yl]methyl]propanamide;dihydrochloride?
The IUPAC name of 3-amino-N-[[1-[2-(2-methylbenzimidazol-1-yl)acetyl]piperidin-2-yl]methyl]propanamide;dihydrochloride (CID 120578364) is 3-amino-N-[[1-[2-(2-methylbenzimidazol-1-yl)acetyl]piperidin-2-yl]methyl]propanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[[1-[2-(2-methylbenzimidazol-1-yl)acetyl]piperidin-2-yl]methyl]propanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[[1-[2-(2-methylbenzimidazol-1-yl)acetyl]piperidin-2-yl]methyl]propanamide;dihydrochloride is Cc1nc2ccccc2n1CC(=O)N1CCCCC1CNC(=O)CCN.Cl.Cl.
What is the InChIKey of 3-amino-N-[[1-[2-(2-methylbenzimidazol-1-yl)acetyl]piperidin-2-yl]methyl]propanamide;dihydrochloride?
The InChIKey is OLSZJCDPFVQKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2.2ClH/c1-14-22-16-7-2-3-8-17(16)24(14)13-19(26)23-11-5-4-6-15(23)12-21-18(25)9-10-20;;/h2-3,7-8,15H,4-6,9-13,20H2,1H3,(H,21,25);2*1H.
What are the key properties of 3-amino-N-[[1-[2-(2-methylbenzimidazol-1-yl)acetyl]piperidin-2-yl]methyl]propanamide;dihydrochloride?
3-amino-N-[[1-[2-(2-methylbenzimidazol-1-yl)acetyl]piperidin-2-yl]methyl]propanamide;dihydrochloride has a molecular weight of 430.38 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-[2-(2-methylbenzimidazol-1-yl)acetyl]piperidin-2-yl]methyl]propanamide;dihydrochloride is sourced from PubChem (CID 120578364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).