N-[3-(4-benzylpiperidin-1-yl)propyl]-6-bromonaphthalene-2-carboxamide

C26H29BrN2O — CID 122188504

IUPACN-[3-(4-benzylpiperidin-1-yl)propyl]-6-bromonaphthalene-2-carboxamide
SMILESO=C(NCCCN1CCC(Cc2ccccc2)CC1)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C26H29BrN2O/c27-25-10-9-22-18-24(8-7-23(22)19-25)26(30)28-13-4-14-29-15-11-21(12-16-29)17-20-5-2-1-3-6-20/h1-3,5-10,18-19,21H,4,11-17H2,(H,28,30)
InChIKeyDNULEDAKWYIMHX-UHFFFAOYSA-N
MW465.44 g/mol
LogP5.68
Rot. Bonds7

About N-[3-(4-benzylpiperidin-1-yl)propyl]-6-bromonaphthalene-2-carboxamide

N-[3-(4-benzylpiperidin-1-yl)propyl]-6-bromonaphthalene-2-carboxamide (PubChem CID 122188504) has the molecular formula C26H29BrN2O and a molecular weight of 465.44 g/mol. Its IUPAC name is N-[3-(4-benzylpiperidin-1-yl)propyl]-6-bromonaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-benzylpiperidin-1-yl)propyl]-6-bromonaphthalene-2-carboxamide
PubChem CID122188504
Molecular FormulaC26H29BrN2O
Molecular Weight465.44 g/mol
Exact Mass464.15
IUPAC NameN-[3-(4-benzylpiperidin-1-yl)propyl]-6-bromonaphthalene-2-carboxamide
SMILESO=C(NCCCN1CCC(Cc2ccccc2)CC1)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C26H29BrN2O/c27-25-10-9-22-18-24(8-7-23(22)19-25)26(30)28-13-4-14-29-15-11-21(12-16-29)17-20-5-2-1-3-6-20/h1-3,5-10,18-19,21H,4,11-17H2,(H,28,30)
InChIKeyDNULEDAKWYIMHX-UHFFFAOYSA-N
XLogP5.68
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.44
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-benzylpiperidin-1-yl)propyl]-6-bromonaphthalene-2-carboxamide?
The IUPAC name of N-[3-(4-benzylpiperidin-1-yl)propyl]-6-bromonaphthalene-2-carboxamide (CID 122188504) is N-[3-(4-benzylpiperidin-1-yl)propyl]-6-bromonaphthalene-2-carboxamide.
What is the SMILES notation for N-[3-(4-benzylpiperidin-1-yl)propyl]-6-bromonaphthalene-2-carboxamide?
The canonical SMILES for N-[3-(4-benzylpiperidin-1-yl)propyl]-6-bromonaphthalene-2-carboxamide is O=C(NCCCN1CCC(Cc2ccccc2)CC1)c1ccc2cc(Br)ccc2c1.
What is the InChIKey of N-[3-(4-benzylpiperidin-1-yl)propyl]-6-bromonaphthalene-2-carboxamide?
The InChIKey is DNULEDAKWYIMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29BrN2O/c27-25-10-9-22-18-24(8-7-23(22)19-25)26(30)28-13-4-14-29-15-11-21(12-16-29)17-20-5-2-1-3-6-20/h1-3,5-10,18-19,21H,4,11-17H2,(H,28,30).
What are the key properties of N-[3-(4-benzylpiperidin-1-yl)propyl]-6-bromonaphthalene-2-carboxamide?
N-[3-(4-benzylpiperidin-1-yl)propyl]-6-bromonaphthalene-2-carboxamide has a molecular weight of 465.44 g/mol, XLogP of 5.68, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-benzylpiperidin-1-yl)propyl]-6-bromonaphthalene-2-carboxamide is sourced from PubChem (CID 122188504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).