(6R)-6-(4-oxopiperidin-1-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile

C16H18N2O — CID 10445028

IUPAC(6R)-6-(4-oxopiperidin-1-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
SMILESN#Cc1ccc2c(c1)CC[C@@H](N1CCC(=O)CC1)C2
InChIInChI=1S/C16H18N2O/c17-11-12-1-2-14-10-15(4-3-13(14)9-12)18-7-5-16(19)6-8-18/h1-2,9,15H,3-8,10H2/t15-/m1/s1
InChIKeyRTAVBCUBMDKNGD-OAHLLOKOSA-N
MW254.33 g/mol
LogP2.08
Rot. Bonds1

About (6R)-6-(4-oxopiperidin-1-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile

(6R)-6-(4-oxopiperidin-1-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile (PubChem CID 10445028) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is (6R)-6-(4-oxopiperidin-1-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile.

Molecular Properties

Compound Name(6R)-6-(4-oxopiperidin-1-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
PubChem CID10445028
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name(6R)-6-(4-oxopiperidin-1-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
SMILESN#Cc1ccc2c(c1)CC[C@@H](N1CCC(=O)CC1)C2
InChIInChI=1S/C16H18N2O/c17-11-12-1-2-14-10-15(4-3-13(14)9-12)18-7-5-16(19)6-8-18/h1-2,9,15H,3-8,10H2/t15-/m1/s1
InChIKeyRTAVBCUBMDKNGD-OAHLLOKOSA-N
XLogP2.08
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-(4-oxopiperidin-1-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The IUPAC name of (6R)-6-(4-oxopiperidin-1-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile (CID 10445028) is (6R)-6-(4-oxopiperidin-1-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile.
What is the SMILES notation for (6R)-6-(4-oxopiperidin-1-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The canonical SMILES for (6R)-6-(4-oxopiperidin-1-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile is N#Cc1ccc2c(c1)CC[C@@H](N1CCC(=O)CC1)C2.
What is the InChIKey of (6R)-6-(4-oxopiperidin-1-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The InChIKey is RTAVBCUBMDKNGD-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H18N2O/c17-11-12-1-2-14-10-15(4-3-13(14)9-12)18-7-5-16(19)6-8-18/h1-2,9,15H,3-8,10H2/t15-/m1/s1.
What are the key properties of (6R)-6-(4-oxopiperidin-1-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
(6R)-6-(4-oxopiperidin-1-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile has a molecular weight of 254.33 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-(4-oxopiperidin-1-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile is sourced from PubChem (CID 10445028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).