4-(2-chlorophenyl)-N-piperidin-3-yloxane-4-carboxamide

C17H23ClN2O2 — CID 119427380

IUPAC4-(2-chlorophenyl)-N-piperidin-3-yloxane-4-carboxamide
SMILESO=C(NC1CCCNC1)C1(c2ccccc2Cl)CCOCC1
InChIInChI=1S/C17H23ClN2O2/c18-15-6-2-1-5-14(15)17(7-10-22-11-8-17)16(21)20-13-4-3-9-19-12-13/h1-2,5-6,13,19H,3-4,7-12H2,(H,20,21)
InChIKeySWKDHYCFEXFIHQ-UHFFFAOYSA-N
MW322.84 g/mol
LogP2.26
Rot. Bonds3

About 4-(2-chlorophenyl)-N-piperidin-3-yloxane-4-carboxamide

4-(2-chlorophenyl)-N-piperidin-3-yloxane-4-carboxamide (PubChem CID 119427380) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-N-piperidin-3-yloxane-4-carboxamide.

Molecular Properties

Compound Name4-(2-chlorophenyl)-N-piperidin-3-yloxane-4-carboxamide
PubChem CID119427380
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC Name4-(2-chlorophenyl)-N-piperidin-3-yloxane-4-carboxamide
SMILESO=C(NC1CCCNC1)C1(c2ccccc2Cl)CCOCC1
InChIInChI=1S/C17H23ClN2O2/c18-15-6-2-1-5-14(15)17(7-10-22-11-8-17)16(21)20-13-4-3-9-19-12-13/h1-2,5-6,13,19H,3-4,7-12H2,(H,20,21)
InChIKeySWKDHYCFEXFIHQ-UHFFFAOYSA-N
XLogP2.26
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-N-piperidin-3-yloxane-4-carboxamide?
The IUPAC name of 4-(2-chlorophenyl)-N-piperidin-3-yloxane-4-carboxamide (CID 119427380) is 4-(2-chlorophenyl)-N-piperidin-3-yloxane-4-carboxamide.
What is the SMILES notation for 4-(2-chlorophenyl)-N-piperidin-3-yloxane-4-carboxamide?
The canonical SMILES for 4-(2-chlorophenyl)-N-piperidin-3-yloxane-4-carboxamide is O=C(NC1CCCNC1)C1(c2ccccc2Cl)CCOCC1.
What is the InChIKey of 4-(2-chlorophenyl)-N-piperidin-3-yloxane-4-carboxamide?
The InChIKey is SWKDHYCFEXFIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O2/c18-15-6-2-1-5-14(15)17(7-10-22-11-8-17)16(21)20-13-4-3-9-19-12-13/h1-2,5-6,13,19H,3-4,7-12H2,(H,20,21).
What are the key properties of 4-(2-chlorophenyl)-N-piperidin-3-yloxane-4-carboxamide?
4-(2-chlorophenyl)-N-piperidin-3-yloxane-4-carboxamide has a molecular weight of 322.84 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-N-piperidin-3-yloxane-4-carboxamide is sourced from PubChem (CID 119427380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).