(1-phenylcyclopentyl)-piperidin-1-ylmethanone

C17H23NO — CID 778763

IUPAC(1-phenylcyclopentyl)-piperidin-1-ylmethanone
SMILESO=C(N1CCCCC1)C1(c2ccccc2)CCCC1
InChIInChI=1S/C17H23NO/c19-16(18-13-7-2-8-14-18)17(11-5-6-12-17)15-9-3-1-4-10-15/h1,3-4,9-10H,2,5-8,11-14H2
InChIKeyHQFHUOULUZHWII-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.51
Rot. Bonds2

About (1-phenylcyclopentyl)-piperidin-1-ylmethanone

(1-phenylcyclopentyl)-piperidin-1-ylmethanone (PubChem CID 778763) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is (1-phenylcyclopentyl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(1-phenylcyclopentyl)-piperidin-1-ylmethanone
PubChem CID778763
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name(1-phenylcyclopentyl)-piperidin-1-ylmethanone
SMILESO=C(N1CCCCC1)C1(c2ccccc2)CCCC1
InChIInChI=1S/C17H23NO/c19-16(18-13-7-2-8-14-18)17(11-5-6-12-17)15-9-3-1-4-10-15/h1,3-4,9-10H,2,5-8,11-14H2
InChIKeyHQFHUOULUZHWII-UHFFFAOYSA-N
XLogP3.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1-phenylcyclopentyl)-piperidin-1-ylmethanone?
The IUPAC name of (1-phenylcyclopentyl)-piperidin-1-ylmethanone (CID 778763) is (1-phenylcyclopentyl)-piperidin-1-ylmethanone.
What is the SMILES notation for (1-phenylcyclopentyl)-piperidin-1-ylmethanone?
The canonical SMILES for (1-phenylcyclopentyl)-piperidin-1-ylmethanone is O=C(N1CCCCC1)C1(c2ccccc2)CCCC1.
What is the InChIKey of (1-phenylcyclopentyl)-piperidin-1-ylmethanone?
The InChIKey is HQFHUOULUZHWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c19-16(18-13-7-2-8-14-18)17(11-5-6-12-17)15-9-3-1-4-10-15/h1,3-4,9-10H,2,5-8,11-14H2.
What are the key properties of (1-phenylcyclopentyl)-piperidin-1-ylmethanone?
(1-phenylcyclopentyl)-piperidin-1-ylmethanone has a molecular weight of 257.38 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenylcyclopentyl)-piperidin-1-ylmethanone is sourced from PubChem (CID 778763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).