cyclopropyl-[4-(4-phenylpiperidine-1-carbonyl)piperidin-1-yl]methanone

C21H28N2O2 — CID 39580492

IUPACcyclopropyl-[4-(4-phenylpiperidine-1-carbonyl)piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC(C(=O)N2CCC(c3ccccc3)CC2)CC1
InChIInChI=1S/C21H28N2O2/c24-20(18-6-7-18)23-14-10-19(11-15-23)21(25)22-12-8-17(9-13-22)16-4-2-1-3-5-16/h1-5,17-19H,6-15H2
InChIKeyJLBGUKMSTDZZSP-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.04
Rot. Bonds3

About cyclopropyl-[4-(4-phenylpiperidine-1-carbonyl)piperidin-1-yl]methanone

cyclopropyl-[4-(4-phenylpiperidine-1-carbonyl)piperidin-1-yl]methanone (PubChem CID 39580492) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is cyclopropyl-[4-(4-phenylpiperidine-1-carbonyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-(4-phenylpiperidine-1-carbonyl)piperidin-1-yl]methanone
PubChem CID39580492
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Namecyclopropyl-[4-(4-phenylpiperidine-1-carbonyl)piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC(C(=O)N2CCC(c3ccccc3)CC2)CC1
InChIInChI=1S/C21H28N2O2/c24-20(18-6-7-18)23-14-10-19(11-15-23)21(25)22-12-8-17(9-13-22)16-4-2-1-3-5-16/h1-5,17-19H,6-15H2
InChIKeyJLBGUKMSTDZZSP-UHFFFAOYSA-N
XLogP3.04
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-(4-phenylpiperidine-1-carbonyl)piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-(4-phenylpiperidine-1-carbonyl)piperidin-1-yl]methanone (CID 39580492) is cyclopropyl-[4-(4-phenylpiperidine-1-carbonyl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-(4-phenylpiperidine-1-carbonyl)piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-(4-phenylpiperidine-1-carbonyl)piperidin-1-yl]methanone is O=C(C1CC1)N1CCC(C(=O)N2CCC(c3ccccc3)CC2)CC1.
What is the InChIKey of cyclopropyl-[4-(4-phenylpiperidine-1-carbonyl)piperidin-1-yl]methanone?
The InChIKey is JLBGUKMSTDZZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c24-20(18-6-7-18)23-14-10-19(11-15-23)21(25)22-12-8-17(9-13-22)16-4-2-1-3-5-16/h1-5,17-19H,6-15H2.
What are the key properties of cyclopropyl-[4-(4-phenylpiperidine-1-carbonyl)piperidin-1-yl]methanone?
cyclopropyl-[4-(4-phenylpiperidine-1-carbonyl)piperidin-1-yl]methanone has a molecular weight of 340.47 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-(4-phenylpiperidine-1-carbonyl)piperidin-1-yl]methanone is sourced from PubChem (CID 39580492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).