7-amino-N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]heptanamide;dihydrochloride

C20H34Cl2N4O3 — CID 119866731

IUPAC7-amino-N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]heptanamide;dihydrochloride
SMILESCOc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)CCCCCCN.Cl.Cl
InChIInChI=1S/C20H32N4O3.2ClH/c1-23-11-13-24(14-12-23)20(26)16-8-9-18(27-2)17(15-16)22-19(25)7-5-3-4-6-10-21;;/h8-9,15H,3-7,10-14,21H2,1-2H3,(H,22,25);2*1H
InChIKeyKYZYLDVEZQKUPR-UHFFFAOYSA-N
MW449.42 g/mol
LogP2.77
Rot. Bonds9

About 7-amino-N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]heptanamide;dihydrochloride

7-amino-N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]heptanamide;dihydrochloride (PubChem CID 119866731) has the molecular formula C20H34Cl2N4O3 and a molecular weight of 449.42 g/mol. Its IUPAC name is 7-amino-N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]heptanamide;dihydrochloride.

Molecular Properties

Compound Name7-amino-N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]heptanamide;dihydrochloride
PubChem CID119866731
Molecular FormulaC20H34Cl2N4O3
Molecular Weight449.42 g/mol
Exact Mass448.20
IUPAC Name7-amino-N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]heptanamide;dihydrochloride
SMILESCOc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)CCCCCCN.Cl.Cl
InChIInChI=1S/C20H32N4O3.2ClH/c1-23-11-13-24(14-12-23)20(26)16-8-9-18(27-2)17(15-16)22-19(25)7-5-3-4-6-10-21;;/h8-9,15H,3-7,10-14,21H2,1-2H3,(H,22,25);2*1H
InChIKeyKYZYLDVEZQKUPR-UHFFFAOYSA-N
XLogP2.77
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.42
LogP ≤ 52.77
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

4-amino-N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]butanamide;hydrochloride
CID 119307355
N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-4-(methylamino)butanamide;dihydrochloride
CID 119866737
N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-5-(4-methylphenyl)pentanamide
CID 60602041
N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]propanamide
CID 95178995
3-(7-aminoheptanoylamino)-4-methoxybenzoic acid
CID 63743950
N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
CID 95178992
7-amino-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]heptanamide
CID 119861246
N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-3-methyl-3-phenylbutanamide
CID 60596548
4,4,4-trifluoro-N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]butanamide
CID 71926356
7-amino-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]heptanamide;hydrochloride
CID 119761404
7-amino-N-(2-methoxyphenyl)heptanamide;hydrochloride
CID 119670519
2-[6-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]hexanoylamino]benzamide;oxalic acid
CID 70470602

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]heptanamide;dihydrochloride?
The IUPAC name of 7-amino-N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]heptanamide;dihydrochloride (CID 119866731) is 7-amino-N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]heptanamide;dihydrochloride.
What is the SMILES notation for 7-amino-N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]heptanamide;dihydrochloride?
The canonical SMILES for 7-amino-N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]heptanamide;dihydrochloride is COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)CCCCCCN.Cl.Cl.
What is the InChIKey of 7-amino-N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]heptanamide;dihydrochloride?
The InChIKey is KYZYLDVEZQKUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O3.2ClH/c1-23-11-13-24(14-12-23)20(26)16-8-9-18(27-2)17(15-16)22-19(25)7-5-3-4-6-10-21;;/h8-9,15H,3-7,10-14,21H2,1-2H3,(H,22,25);2*1H.
What are the key properties of 7-amino-N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]heptanamide;dihydrochloride?
7-amino-N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]heptanamide;dihydrochloride has a molecular weight of 449.42 g/mol, XLogP of 2.77, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]heptanamide;dihydrochloride is sourced from PubChem (CID 119866731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).