N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]naphthalene-2-carboxamide

C24H24Cl2N2O2 — CID 22322216

IUPACN-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]naphthalene-2-carboxamide
SMILESO=C(NCCN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1ccc2ccccc2c1
InChIInChI=1S/C24H24Cl2N2O2/c25-22-8-7-21(16-23(22)26)30-20-9-12-28(13-10-20)14-11-27-24(29)19-6-5-17-3-1-2-4-18(17)15-19/h1-8,15-16,20H,9-14H2,(H,27,29)
InChIKeyYZTPNTWVGMYLQS-UHFFFAOYSA-N
MW443.37 g/mol
LogP5.42
Rot. Bonds6

About N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]naphthalene-2-carboxamide

N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]naphthalene-2-carboxamide (PubChem CID 22322216) has the molecular formula C24H24Cl2N2O2 and a molecular weight of 443.37 g/mol. Its IUPAC name is N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]naphthalene-2-carboxamide
PubChem CID22322216
Molecular FormulaC24H24Cl2N2O2
Molecular Weight443.37 g/mol
Exact Mass442.12
IUPAC NameN-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]naphthalene-2-carboxamide
SMILESO=C(NCCN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1ccc2ccccc2c1
InChIInChI=1S/C24H24Cl2N2O2/c25-22-8-7-21(16-23(22)26)30-20-9-12-28(13-10-20)14-11-27-24(29)19-6-5-17-3-1-2-4-18(17)15-19/h1-8,15-16,20H,9-14H2,(H,27,29)
InChIKeyYZTPNTWVGMYLQS-UHFFFAOYSA-N
XLogP5.42
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.37
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]naphthalene-2-carboxamide?
The IUPAC name of N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]naphthalene-2-carboxamide (CID 22322216) is N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]naphthalene-2-carboxamide is O=C(NCCN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1ccc2ccccc2c1.
What is the InChIKey of N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]naphthalene-2-carboxamide?
The InChIKey is YZTPNTWVGMYLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N2O2/c25-22-8-7-21(16-23(22)26)30-20-9-12-28(13-10-20)14-11-27-24(29)19-6-5-17-3-1-2-4-18(17)15-19/h1-8,15-16,20H,9-14H2,(H,27,29).
What are the key properties of N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]naphthalene-2-carboxamide?
N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]naphthalene-2-carboxamide has a molecular weight of 443.37 g/mol, XLogP of 5.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]naphthalene-2-carboxamide is sourced from PubChem (CID 22322216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).