N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)piperidine-4-carboxamide

C15H19ClN2O2 — CID 119301911

IUPACN-(8-chloro-3,4-dihydro-2H-chromen-4-yl)piperidine-4-carboxamide
SMILESO=C(NC1CCOc2c(Cl)cccc21)C1CCNCC1
InChIInChI=1S/C15H19ClN2O2/c16-12-3-1-2-11-13(6-9-20-14(11)12)18-15(19)10-4-7-17-8-5-10/h1-3,10,13,17H,4-9H2,(H,18,19)
InChIKeyBVSZKZZPIHXXCH-UHFFFAOYSA-N
MW294.78 g/mol
LogP2.28
Rot. Bonds2

About N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)piperidine-4-carboxamide

N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)piperidine-4-carboxamide (PubChem CID 119301911) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(8-chloro-3,4-dihydro-2H-chromen-4-yl)piperidine-4-carboxamide
PubChem CID119301911
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC NameN-(8-chloro-3,4-dihydro-2H-chromen-4-yl)piperidine-4-carboxamide
SMILESO=C(NC1CCOc2c(Cl)cccc21)C1CCNCC1
InChIInChI=1S/C15H19ClN2O2/c16-12-3-1-2-11-13(6-9-20-14(11)12)18-15(19)10-4-7-17-8-5-10/h1-3,10,13,17H,4-9H2,(H,18,19)
InChIKeyBVSZKZZPIHXXCH-UHFFFAOYSA-N
XLogP2.28
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)piperidine-4-carboxamide (CID 119301911) is N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)piperidine-4-carboxamide is O=C(NC1CCOc2c(Cl)cccc21)C1CCNCC1.
What is the InChIKey of N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)piperidine-4-carboxamide?
The InChIKey is BVSZKZZPIHXXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c16-12-3-1-2-11-13(6-9-20-14(11)12)18-15(19)10-4-7-17-8-5-10/h1-3,10,13,17H,4-9H2,(H,18,19).
What are the key properties of N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)piperidine-4-carboxamide?
N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)piperidine-4-carboxamide has a molecular weight of 294.78 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 119301911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).