N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-4-(methylamino)butanamide;dihydrochloride

C18H30Cl2N4O3 — CID 119866737

IUPACN-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-4-(methylamino)butanamide;dihydrochloride
SMILESCNCCCC(=O)Nc1cc(C(=O)N2CCN(C)CC2)ccc1OC.Cl.Cl
InChIInChI=1S/C18H28N4O3.2ClH/c1-19-8-4-5-17(23)20-15-13-14(6-7-16(15)25-3)18(24)22-11-9-21(2)10-12-22;;/h6-7,13,19H,4-5,8-12H2,1-3H3,(H,20,23);2*1H
InChIKeyBWHUNICOXCLVHX-UHFFFAOYSA-N
MW421.37 g/mol
LogP1.86
Rot. Bonds7

About N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-4-(methylamino)butanamide;dihydrochloride

N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-4-(methylamino)butanamide;dihydrochloride (PubChem CID 119866737) has the molecular formula C18H30Cl2N4O3 and a molecular weight of 421.37 g/mol. Its IUPAC name is N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-4-(methylamino)butanamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-4-(methylamino)butanamide;dihydrochloride
PubChem CID119866737
Molecular FormulaC18H30Cl2N4O3
Molecular Weight421.37 g/mol
Exact Mass420.17
IUPAC NameN-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-4-(methylamino)butanamide;dihydrochloride
SMILESCNCCCC(=O)Nc1cc(C(=O)N2CCN(C)CC2)ccc1OC.Cl.Cl
InChIInChI=1S/C18H28N4O3.2ClH/c1-19-8-4-5-17(23)20-15-13-14(6-7-16(15)25-3)18(24)22-11-9-21(2)10-12-22;;/h6-7,13,19H,4-5,8-12H2,1-3H3,(H,20,23);2*1H
InChIKeyBWHUNICOXCLVHX-UHFFFAOYSA-N
XLogP1.86
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.37
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-amino-N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]heptanamide;dihydrochloride
CID 119866731
N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]propanamide
CID 95178995
N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-5-(4-methylphenyl)pentanamide
CID 60602041
N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
CID 95178992
4-amino-N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]butanamide;hydrochloride
CID 119307355
N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-3-methyl-3-phenylbutanamide
CID 60596548
N-(5-acetamido-2-methoxyphenyl)-4-(methylamino)butanamide;hydrochloride
CID 119680210
4,4,4-trifluoro-N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]butanamide
CID 71926356
4-(methylamino)-N-(2,4,5-trimethoxyphenyl)butanamide;hydrochloride
CID 119808116
N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 119866736
N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119941665
N-[2-methoxy-5-(morpholine-4-carbonyl)phenyl]propanamide
CID 50875914

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-4-(methylamino)butanamide;dihydrochloride?
The IUPAC name of N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-4-(methylamino)butanamide;dihydrochloride (CID 119866737) is N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-4-(methylamino)butanamide;dihydrochloride.
What is the SMILES notation for N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-4-(methylamino)butanamide;dihydrochloride?
The canonical SMILES for N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-4-(methylamino)butanamide;dihydrochloride is CNCCCC(=O)Nc1cc(C(=O)N2CCN(C)CC2)ccc1OC.Cl.Cl.
What is the InChIKey of N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-4-(methylamino)butanamide;dihydrochloride?
The InChIKey is BWHUNICOXCLVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3.2ClH/c1-19-8-4-5-17(23)20-15-13-14(6-7-16(15)25-3)18(24)22-11-9-21(2)10-12-22;;/h6-7,13,19H,4-5,8-12H2,1-3H3,(H,20,23);2*1H.
What are the key properties of N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-4-(methylamino)butanamide;dihydrochloride?
N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-4-(methylamino)butanamide;dihydrochloride has a molecular weight of 421.37 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-4-(methylamino)butanamide;dihydrochloride is sourced from PubChem (CID 119866737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).