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

C27H29ClN2O2 — CID 24759420

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]naphthalene-2-carboxamide
SMILESCC(C)C(NC(=O)c1ccc2ccccc2c1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C27H29ClN2O2/c1-18(2)25(29-26(31)23-8-7-19-5-3-4-6-22(19)17-23)27(32)30-15-13-21(14-16-30)20-9-11-24(28)12-10-20/h3-12,17-18,21,25H,13-16H2,1-2H3,(H,29,31)
InChIKeyOGQOMMFGBZFBQS-UHFFFAOYSA-N
MW448.99 g/mol
LogP5.65
Rot. Bonds5

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

N-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]naphthalene-2-carboxamide (PubChem CID 24759420) has the molecular formula C27H29ClN2O2 and a molecular weight of 448.99 g/mol. Its IUPAC name is N-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]naphthalene-2-carboxamide
PubChem CID24759420
Molecular FormulaC27H29ClN2O2
Molecular Weight448.99 g/mol
Exact Mass448.19
IUPAC NameN-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]naphthalene-2-carboxamide
SMILESCC(C)C(NC(=O)c1ccc2ccccc2c1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C27H29ClN2O2/c1-18(2)25(29-26(31)23-8-7-19-5-3-4-6-22(19)17-23)27(32)30-15-13-21(14-16-30)20-9-11-24(28)12-10-20/h3-12,17-18,21,25H,13-16H2,1-2H3,(H,29,31)
InChIKeyOGQOMMFGBZFBQS-UHFFFAOYSA-N
XLogP5.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.99
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]naphthalene-2-carboxamide?
The IUPAC name of N-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]naphthalene-2-carboxamide (CID 24759420) is N-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]naphthalene-2-carboxamide?
The canonical SMILES for N-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]naphthalene-2-carboxamide is CC(C)C(NC(=O)c1ccc2ccccc2c1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]naphthalene-2-carboxamide?
The InChIKey is OGQOMMFGBZFBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClN2O2/c1-18(2)25(29-26(31)23-8-7-19-5-3-4-6-22(19)17-23)27(32)30-15-13-21(14-16-30)20-9-11-24(28)12-10-20/h3-12,17-18,21,25H,13-16H2,1-2H3,(H,29,31).
What are the key properties of N-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]naphthalene-2-carboxamide?
N-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]naphthalene-2-carboxamide has a molecular weight of 448.99 g/mol, XLogP of 5.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]naphthalene-2-carboxamide is sourced from PubChem (CID 24759420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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