N-(1-benzylpiperidin-4-yl)-6-chloro-2H-chromene-3-carboxamide

C22H23ClN2O2 — CID 2809645

IUPACN-(1-benzylpiperidin-4-yl)-6-chloro-2H-chromene-3-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)C1=Cc2cc(Cl)ccc2OC1
InChIInChI=1S/C22H23ClN2O2/c23-19-6-7-21-17(13-19)12-18(15-27-21)22(26)24-20-8-10-25(11-9-20)14-16-4-2-1-3-5-16/h1-7,12-13,20H,8-11,14-15H2,(H,24,26)
InChIKeyPVHNLUWWUGBJOG-UHFFFAOYSA-N
MW382.89 g/mol
LogP3.90
Rot. Bonds4

About N-(1-benzylpiperidin-4-yl)-6-chloro-2H-chromene-3-carboxamide

N-(1-benzylpiperidin-4-yl)-6-chloro-2H-chromene-3-carboxamide (PubChem CID 2809645) has the molecular formula C22H23ClN2O2 and a molecular weight of 382.89 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-6-chloro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-6-chloro-2H-chromene-3-carboxamide
PubChem CID2809645
Molecular FormulaC22H23ClN2O2
Molecular Weight382.89 g/mol
Exact Mass382.14
IUPAC NameN-(1-benzylpiperidin-4-yl)-6-chloro-2H-chromene-3-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)C1=Cc2cc(Cl)ccc2OC1
InChIInChI=1S/C22H23ClN2O2/c23-19-6-7-21-17(13-19)12-18(15-27-21)22(26)24-20-8-10-25(11-9-20)14-16-4-2-1-3-5-16/h1-7,12-13,20H,8-11,14-15H2,(H,24,26)
InChIKeyPVHNLUWWUGBJOG-UHFFFAOYSA-N
XLogP3.90
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.89
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-6-chloro-2H-chromene-3-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-6-chloro-2H-chromene-3-carboxamide (CID 2809645) is N-(1-benzylpiperidin-4-yl)-6-chloro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-6-chloro-2H-chromene-3-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-6-chloro-2H-chromene-3-carboxamide is O=C(NC1CCN(Cc2ccccc2)CC1)C1=Cc2cc(Cl)ccc2OC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-6-chloro-2H-chromene-3-carboxamide?
The InChIKey is PVHNLUWWUGBJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O2/c23-19-6-7-21-17(13-19)12-18(15-27-21)22(26)24-20-8-10-25(11-9-20)14-16-4-2-1-3-5-16/h1-7,12-13,20H,8-11,14-15H2,(H,24,26).
What are the key properties of N-(1-benzylpiperidin-4-yl)-6-chloro-2H-chromene-3-carboxamide?
N-(1-benzylpiperidin-4-yl)-6-chloro-2H-chromene-3-carboxamide has a molecular weight of 382.89 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-6-chloro-2H-chromene-3-carboxamide is sourced from PubChem (CID 2809645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).