(2,2-diphenylcyclopropyl)-piperidin-1-ylmethanone

C21H23NO — CID 3904254

IUPAC(2,2-diphenylcyclopropyl)-piperidin-1-ylmethanone
SMILESO=C(C1CC1(c1ccccc1)c1ccccc1)N1CCCCC1
InChIInChI=1S/C21H23NO/c23-20(22-14-8-3-9-15-22)19-16-21(19,17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-2,4-7,10-13,19H,3,8-9,14-16H2
InChIKeyKEJDRIIGRYBQFO-UHFFFAOYSA-N
MW305.42 g/mol
LogP4.01
Rot. Bonds3

About (2,2-diphenylcyclopropyl)-piperidin-1-ylmethanone

(2,2-diphenylcyclopropyl)-piperidin-1-ylmethanone (PubChem CID 3904254) has the molecular formula C21H23NO and a molecular weight of 305.42 g/mol. Its IUPAC name is (2,2-diphenylcyclopropyl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(2,2-diphenylcyclopropyl)-piperidin-1-ylmethanone
PubChem CID3904254
Molecular FormulaC21H23NO
Molecular Weight305.42 g/mol
Exact Mass305.18
IUPAC Name(2,2-diphenylcyclopropyl)-piperidin-1-ylmethanone
SMILESO=C(C1CC1(c1ccccc1)c1ccccc1)N1CCCCC1
InChIInChI=1S/C21H23NO/c23-20(22-14-8-3-9-15-22)19-16-21(19,17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-2,4-7,10-13,19H,3,8-9,14-16H2
InChIKeyKEJDRIIGRYBQFO-UHFFFAOYSA-N
XLogP4.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2,2-diphenylcyclopropyl)-piperidin-1-ylmethanone?
The IUPAC name of (2,2-diphenylcyclopropyl)-piperidin-1-ylmethanone (CID 3904254) is (2,2-diphenylcyclopropyl)-piperidin-1-ylmethanone.
What is the SMILES notation for (2,2-diphenylcyclopropyl)-piperidin-1-ylmethanone?
The canonical SMILES for (2,2-diphenylcyclopropyl)-piperidin-1-ylmethanone is O=C(C1CC1(c1ccccc1)c1ccccc1)N1CCCCC1.
What is the InChIKey of (2,2-diphenylcyclopropyl)-piperidin-1-ylmethanone?
The InChIKey is KEJDRIIGRYBQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO/c23-20(22-14-8-3-9-15-22)19-16-21(19,17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-2,4-7,10-13,19H,3,8-9,14-16H2.
What are the key properties of (2,2-diphenylcyclopropyl)-piperidin-1-ylmethanone?
(2,2-diphenylcyclopropyl)-piperidin-1-ylmethanone has a molecular weight of 305.42 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-diphenylcyclopropyl)-piperidin-1-ylmethanone is sourced from PubChem (CID 3904254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).