4-amino-3-methoxy-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]butanamide;dihydrochloride

C19H32Cl2N4O3 — CID 120596003

IUPAC4-amino-3-methoxy-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]butanamide;dihydrochloride
SMILESCOC(CN)CC(=O)Nc1ccc(C)c(NC(=O)CN2CCCCC2)c1.Cl.Cl
InChIInChI=1S/C19H30N4O3.2ClH/c1-14-6-7-15(21-18(24)11-16(12-20)26-2)10-17(14)22-19(25)13-23-8-4-3-5-9-23;;/h6-7,10,16H,3-5,8-9,11-13,20H2,1-2H3,(H,21,24)(H,22,25);2*1H
InChIKeyACQLNQBXOKIPSJ-UHFFFAOYSA-N
MW435.40 g/mol
LogP2.57
Rot. Bonds8

About 4-amino-3-methoxy-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]butanamide;dihydrochloride

4-amino-3-methoxy-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]butanamide;dihydrochloride (PubChem CID 120596003) has the molecular formula C19H32Cl2N4O3 and a molecular weight of 435.40 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]butanamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-3-methoxy-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]butanamide;dihydrochloride
PubChem CID120596003
Molecular FormulaC19H32Cl2N4O3
Molecular Weight435.40 g/mol
Exact Mass434.19
IUPAC Name4-amino-3-methoxy-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]butanamide;dihydrochloride
SMILESCOC(CN)CC(=O)Nc1ccc(C)c(NC(=O)CN2CCCCC2)c1.Cl.Cl
InChIInChI=1S/C19H30N4O3.2ClH/c1-14-6-7-15(21-18(24)11-16(12-20)26-2)10-17(14)22-19(25)13-23-8-4-3-5-9-23;;/h6-7,10,16H,3-5,8-9,11-13,20H2,1-2H3,(H,21,24)(H,22,25);2*1H
InChIKeyACQLNQBXOKIPSJ-UHFFFAOYSA-N
XLogP2.57
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.40
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]acetamide
CID 119865183
2-(cyclopropylmethylamino)-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]acetamide
CID 119865177
N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]-3-(2-methylpropoxy)propanamide
CID 51126798
4-amino-3-methoxy-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]butanamide;dihydrochloride
CID 120595053
4-amino-N-[4-(azepan-1-ylmethyl)phenyl]-3-methoxybutanamide
CID 120596131
2-amino-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]-2-phenylacetamide;dihydrochloride
CID 119865150
(2S)-2-amino-4-methyl-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]pentanamide
CID 119865203
2-(azepan-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 8895959
2-amino-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]-2-phenylacetamide
CID 119865151
N-[2-methyl-5-[[2-(2-oxo-1-pyridinyl)acetyl]amino]phenyl]-2-piperidin-1-ylacetamide
CID 86853160
5-[(4-amino-3-methoxybutanoyl)amino]-2-methyl-N-propan-2-ylbenzamide;hydrochloride
CID 120592024
2-amino-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]-3-phenylpropanamide
CID 119865161

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]butanamide;dihydrochloride?
The IUPAC name of 4-amino-3-methoxy-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]butanamide;dihydrochloride (CID 120596003) is 4-amino-3-methoxy-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]butanamide;dihydrochloride.
What is the SMILES notation for 4-amino-3-methoxy-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]butanamide;dihydrochloride?
The canonical SMILES for 4-amino-3-methoxy-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]butanamide;dihydrochloride is COC(CN)CC(=O)Nc1ccc(C)c(NC(=O)CN2CCCCC2)c1.Cl.Cl.
What is the InChIKey of 4-amino-3-methoxy-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]butanamide;dihydrochloride?
The InChIKey is ACQLNQBXOKIPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3.2ClH/c1-14-6-7-15(21-18(24)11-16(12-20)26-2)10-17(14)22-19(25)13-23-8-4-3-5-9-23;;/h6-7,10,16H,3-5,8-9,11-13,20H2,1-2H3,(H,21,24)(H,22,25);2*1H.
What are the key properties of 4-amino-3-methoxy-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]butanamide;dihydrochloride?
4-amino-3-methoxy-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]butanamide;dihydrochloride has a molecular weight of 435.40 g/mol, XLogP of 2.57, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]butanamide;dihydrochloride is sourced from PubChem (CID 120596003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).