1-[3-(4-hydroxypiperidin-1-yl)propyl]cyclohexa-2,4-diene-1-carboxamide

C15H24N2O2 — CID 70509476

IUPAC1-[3-(4-hydroxypiperidin-1-yl)propyl]cyclohexa-2,4-diene-1-carboxamide
SMILESNC(=O)C1(CCCN2CCC(O)CC2)C=CC=CC1
InChIInChI=1S/C15H24N2O2/c16-14(19)15(7-2-1-3-8-15)9-4-10-17-11-5-13(18)6-12-17/h1-3,7,13,18H,4-6,8-12H2,(H2,16,19)
InChIKeyZGAUUFUGPAORBO-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.21
Rot. Bonds5

About 1-[3-(4-hydroxypiperidin-1-yl)propyl]cyclohexa-2,4-diene-1-carboxamide

1-[3-(4-hydroxypiperidin-1-yl)propyl]cyclohexa-2,4-diene-1-carboxamide (PubChem CID 70509476) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[3-(4-hydroxypiperidin-1-yl)propyl]cyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound Name1-[3-(4-hydroxypiperidin-1-yl)propyl]cyclohexa-2,4-diene-1-carboxamide
PubChem CID70509476
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-[3-(4-hydroxypiperidin-1-yl)propyl]cyclohexa-2,4-diene-1-carboxamide
SMILESNC(=O)C1(CCCN2CCC(O)CC2)C=CC=CC1
InChIInChI=1S/C15H24N2O2/c16-14(19)15(7-2-1-3-8-15)9-4-10-17-11-5-13(18)6-12-17/h1-3,7,13,18H,4-6,8-12H2,(H2,16,19)
InChIKeyZGAUUFUGPAORBO-UHFFFAOYSA-N
XLogP1.21
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-hydroxypiperidin-1-yl)propyl]cyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of 1-[3-(4-hydroxypiperidin-1-yl)propyl]cyclohexa-2,4-diene-1-carboxamide (CID 70509476) is 1-[3-(4-hydroxypiperidin-1-yl)propyl]cyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for 1-[3-(4-hydroxypiperidin-1-yl)propyl]cyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for 1-[3-(4-hydroxypiperidin-1-yl)propyl]cyclohexa-2,4-diene-1-carboxamide is NC(=O)C1(CCCN2CCC(O)CC2)C=CC=CC1.
What is the InChIKey of 1-[3-(4-hydroxypiperidin-1-yl)propyl]cyclohexa-2,4-diene-1-carboxamide?
The InChIKey is ZGAUUFUGPAORBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c16-14(19)15(7-2-1-3-8-15)9-4-10-17-11-5-13(18)6-12-17/h1-3,7,13,18H,4-6,8-12H2,(H2,16,19).
What are the key properties of 1-[3-(4-hydroxypiperidin-1-yl)propyl]cyclohexa-2,4-diene-1-carboxamide?
1-[3-(4-hydroxypiperidin-1-yl)propyl]cyclohexa-2,4-diene-1-carboxamide has a molecular weight of 264.37 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-hydroxypiperidin-1-yl)propyl]cyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 70509476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).