7-amino-N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]heptanamide

C19H30BrN3O — CID 119899075

IUPAC7-amino-N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]heptanamide
SMILESNCCCCCCC(=O)NC1CCN(Cc2ccc(Br)cc2)CC1
InChIInChI=1S/C19H30BrN3O/c20-17-8-6-16(7-9-17)15-23-13-10-18(11-14-23)22-19(24)5-3-1-2-4-12-21/h6-9,18H,1-5,10-15,21H2,(H,22,24)
InChIKeyHCUMHEMDARHCJZ-UHFFFAOYSA-N
MW396.37 g/mol
LogP3.44
Rot. Bonds9

About 7-amino-N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]heptanamide

7-amino-N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]heptanamide (PubChem CID 119899075) has the molecular formula C19H30BrN3O and a molecular weight of 396.37 g/mol. Its IUPAC name is 7-amino-N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]heptanamide
PubChem CID119899075
Molecular FormulaC19H30BrN3O
Molecular Weight396.37 g/mol
Exact Mass395.16
IUPAC Name7-amino-N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]heptanamide
SMILESNCCCCCCC(=O)NC1CCN(Cc2ccc(Br)cc2)CC1
InChIInChI=1S/C19H30BrN3O/c20-17-8-6-16(7-9-17)15-23-13-10-18(11-14-23)22-19(24)5-3-1-2-4-12-21/h6-9,18H,1-5,10-15,21H2,(H,22,24)
InChIKeyHCUMHEMDARHCJZ-UHFFFAOYSA-N
XLogP3.44
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.37
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]butanamide;dihydrochloride
CID 119899114
N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-4-(methylamino)butanamide
CID 119899083
4-amino-N-(1-benzylpiperidin-4-yl)butanamide;dihydrochloride
CID 119827625
1-amino-N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide
CID 119899073
3-amino-N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2-methylbutanamide
CID 120504323
6-amino-N-(1-propylpiperidin-4-yl)hexanamide
CID 61276354
7-amino-N-(1-prop-2-enylpiperidin-4-yl)heptanamide
CID 119879080
7-amino-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]heptanamide;dihydrochloride
CID 119845060
7-amino-N-(1-methylpiperidin-4-yl)heptanamide
CID 43373568
3-[(4-bromophenyl)sulfonylamino]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propanamide
CID 55960822
N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2-(2-methoxyethylamino)acetamide;dihydrochloride
CID 119899112
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-phenoxybutanamide
CID 24504189

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]heptanamide?
The IUPAC name of 7-amino-N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]heptanamide (CID 119899075) is 7-amino-N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]heptanamide.
What is the SMILES notation for 7-amino-N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]heptanamide?
The canonical SMILES for 7-amino-N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]heptanamide is NCCCCCCC(=O)NC1CCN(Cc2ccc(Br)cc2)CC1.
What is the InChIKey of 7-amino-N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]heptanamide?
The InChIKey is HCUMHEMDARHCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30BrN3O/c20-17-8-6-16(7-9-17)15-23-13-10-18(11-14-23)22-19(24)5-3-1-2-4-12-21/h6-9,18H,1-5,10-15,21H2,(H,22,24).
What are the key properties of 7-amino-N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]heptanamide?
7-amino-N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]heptanamide has a molecular weight of 396.37 g/mol, XLogP of 3.44, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]heptanamide is sourced from PubChem (CID 119899075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).