N-[1-[(3-bromophenyl)methyl]piperidin-4-yl]naphthalene-2-carboxamide

C23H23BrN2O — CID 16725931

IUPACN-[1-[(3-bromophenyl)methyl]piperidin-4-yl]naphthalene-2-carboxamide
SMILESO=C(NC1CCN(Cc2cccc(Br)c2)CC1)c1ccc2ccccc2c1
InChIInChI=1S/C23H23BrN2O/c24-21-7-3-4-17(14-21)16-26-12-10-22(11-13-26)25-23(27)20-9-8-18-5-1-2-6-19(18)15-20/h1-9,14-15,22H,10-13,16H2,(H,25,27)
InChIKeyKMQWTBGTEFASGU-UHFFFAOYSA-N
MW423.35 g/mol
LogP5.00
Rot. Bonds4

About N-[1-[(3-bromophenyl)methyl]piperidin-4-yl]naphthalene-2-carboxamide

N-[1-[(3-bromophenyl)methyl]piperidin-4-yl]naphthalene-2-carboxamide (PubChem CID 16725931) has the molecular formula C23H23BrN2O and a molecular weight of 423.35 g/mol. Its IUPAC name is N-[1-[(3-bromophenyl)methyl]piperidin-4-yl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(3-bromophenyl)methyl]piperidin-4-yl]naphthalene-2-carboxamide
PubChem CID16725931
Molecular FormulaC23H23BrN2O
Molecular Weight423.35 g/mol
Exact Mass422.10
IUPAC NameN-[1-[(3-bromophenyl)methyl]piperidin-4-yl]naphthalene-2-carboxamide
SMILESO=C(NC1CCN(Cc2cccc(Br)c2)CC1)c1ccc2ccccc2c1
InChIInChI=1S/C23H23BrN2O/c24-21-7-3-4-17(14-21)16-26-12-10-22(11-13-26)25-23(27)20-9-8-18-5-1-2-6-19(18)15-20/h1-9,14-15,22H,10-13,16H2,(H,25,27)
InChIKeyKMQWTBGTEFASGU-UHFFFAOYSA-N
XLogP5.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.35
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-bromophenyl)methyl]piperidin-4-yl]naphthalene-2-carboxamide?
The IUPAC name of N-[1-[(3-bromophenyl)methyl]piperidin-4-yl]naphthalene-2-carboxamide (CID 16725931) is N-[1-[(3-bromophenyl)methyl]piperidin-4-yl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[1-[(3-bromophenyl)methyl]piperidin-4-yl]naphthalene-2-carboxamide?
The canonical SMILES for N-[1-[(3-bromophenyl)methyl]piperidin-4-yl]naphthalene-2-carboxamide is O=C(NC1CCN(Cc2cccc(Br)c2)CC1)c1ccc2ccccc2c1.
What is the InChIKey of N-[1-[(3-bromophenyl)methyl]piperidin-4-yl]naphthalene-2-carboxamide?
The InChIKey is KMQWTBGTEFASGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23BrN2O/c24-21-7-3-4-17(14-21)16-26-12-10-22(11-13-26)25-23(27)20-9-8-18-5-1-2-6-19(18)15-20/h1-9,14-15,22H,10-13,16H2,(H,25,27).
What are the key properties of N-[1-[(3-bromophenyl)methyl]piperidin-4-yl]naphthalene-2-carboxamide?
N-[1-[(3-bromophenyl)methyl]piperidin-4-yl]naphthalene-2-carboxamide has a molecular weight of 423.35 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-bromophenyl)methyl]piperidin-4-yl]naphthalene-2-carboxamide is sourced from PubChem (CID 16725931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).