7-amino-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]heptanamide

C19H30N4O2 — CID 119861246

IUPAC7-amino-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]heptanamide
SMILESCN1CCN(C(=O)c2ccc(NC(=O)CCCCCCN)cc2)CC1
InChIInChI=1S/C19H30N4O2/c1-22-12-14-23(15-13-22)19(25)16-7-9-17(10-8-16)21-18(24)6-4-2-3-5-11-20/h7-10H,2-6,11-15,20H2,1H3,(H,21,24)
InChIKeyKHTGCKUCAWCBAE-UHFFFAOYSA-N
MW346.48 g/mol
LogP1.92
Rot. Bonds8

About 7-amino-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]heptanamide

7-amino-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]heptanamide (PubChem CID 119861246) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 7-amino-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]heptanamide
PubChem CID119861246
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name7-amino-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]heptanamide
SMILESCN1CCN(C(=O)c2ccc(NC(=O)CCCCCCN)cc2)CC1
InChIInChI=1S/C19H30N4O2/c1-22-12-14-23(15-13-22)19(25)16-7-9-17(10-8-16)21-18(24)6-4-2-3-5-11-20/h7-10H,2-6,11-15,20H2,1H3,(H,21,24)
InChIKeyKHTGCKUCAWCBAE-UHFFFAOYSA-N
XLogP1.92
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis[4-(piperidine-1-carbonyl)phenyl]nonanediamide
CID 43878316
7-amino-N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]heptanamide;dihydrochloride
CID 119866731
N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-phenylpropanamide
CID 110602623
4-amino-N-[4-(4-methylpiperazin-1-yl)phenyl]butanamide
CID 22692234
4-(2,4-dichlorophenoxy)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]butanamide
CID 108741099
3-(4-chlorophenoxy)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide
CID 108741133
7-amino-N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]heptanamide
CID 119761257
4-(6-aminohexanoylamino)benzamide
CID 24702559
7-amino-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]heptanamide;hydrochloride
CID 119712957
1-methyl-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]urea
CID 118087553
2-(2-methylphenyl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
CID 110664380
N-[4-(4-methylpiperazine-1-carbonyl)phenyl]formamide
CID 58761975

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]heptanamide?
The IUPAC name of 7-amino-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]heptanamide (CID 119861246) is 7-amino-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]heptanamide.
What is the SMILES notation for 7-amino-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]heptanamide?
The canonical SMILES for 7-amino-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]heptanamide is CN1CCN(C(=O)c2ccc(NC(=O)CCCCCCN)cc2)CC1.
What is the InChIKey of 7-amino-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]heptanamide?
The InChIKey is KHTGCKUCAWCBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-22-12-14-23(15-13-22)19(25)16-7-9-17(10-8-16)21-18(24)6-4-2-3-5-11-20/h7-10H,2-6,11-15,20H2,1H3,(H,21,24).
What are the key properties of 7-amino-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]heptanamide?
7-amino-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]heptanamide has a molecular weight of 346.48 g/mol, XLogP of 1.92, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]heptanamide is sourced from PubChem (CID 119861246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).