3-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-1-carboxamide

C16H22N2O2 — CID 110882568

IUPAC3-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-1-carboxamide
SMILESO=C(NC1CCCc2ccccc21)N1CCCC(O)C1
InChIInChI=1S/C16H22N2O2/c19-13-7-4-10-18(11-13)16(20)17-15-9-3-6-12-5-1-2-8-14(12)15/h1-2,5,8,13,15,19H,3-4,6-7,9-11H2,(H,17,20)
InChIKeyPJHYDWPTNORPPT-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.23
Rot. Bonds1

About 3-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-1-carboxamide

3-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-1-carboxamide (PubChem CID 110882568) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-1-carboxamide
PubChem CID110882568
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name3-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-1-carboxamide
SMILESO=C(NC1CCCc2ccccc21)N1CCCC(O)C1
InChIInChI=1S/C16H22N2O2/c19-13-7-4-10-18(11-13)16(20)17-15-9-3-6-12-5-1-2-8-14(12)15/h1-2,5,8,13,15,19H,3-4,6-7,9-11H2,(H,17,20)
InChIKeyPJHYDWPTNORPPT-UHFFFAOYSA-N
XLogP2.23
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-1-carboxamide?
The IUPAC name of 3-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-1-carboxamide (CID 110882568) is 3-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-1-carboxamide.
What is the SMILES notation for 3-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-1-carboxamide?
The canonical SMILES for 3-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-1-carboxamide is O=C(NC1CCCc2ccccc21)N1CCCC(O)C1.
What is the InChIKey of 3-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-1-carboxamide?
The InChIKey is PJHYDWPTNORPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-13-7-4-10-18(11-13)16(20)17-15-9-3-6-12-5-1-2-8-14(12)15/h1-2,5,8,13,15,19H,3-4,6-7,9-11H2,(H,17,20).
What are the key properties of 3-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-1-carboxamide?
3-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-1-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 2.23, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 110882568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).