cyclopropyl-[2-[4-(1-hydroxyethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]methanone

C16H26N2O3 — CID 106837048

IUPACcyclopropyl-[2-[4-(1-hydroxyethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]methanone
SMILESCC(O)C1CCN(C(=O)C2CCCN2C(=O)C2CC2)CC1
InChIInChI=1S/C16H26N2O3/c1-11(19)12-6-9-17(10-7-12)16(21)14-3-2-8-18(14)15(20)13-4-5-13/h11-14,19H,2-10H2,1H3
InChIKeyXLPKSKFRMZTJLZ-UHFFFAOYSA-N
MW294.39 g/mol
LogP1.01
Rot. Bonds3

About cyclopropyl-[2-[4-(1-hydroxyethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]methanone

cyclopropyl-[2-[4-(1-hydroxyethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]methanone (PubChem CID 106837048) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is cyclopropyl-[2-[4-(1-hydroxyethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[2-[4-(1-hydroxyethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]methanone
PubChem CID106837048
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Namecyclopropyl-[2-[4-(1-hydroxyethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]methanone
SMILESCC(O)C1CCN(C(=O)C2CCCN2C(=O)C2CC2)CC1
InChIInChI=1S/C16H26N2O3/c1-11(19)12-6-9-17(10-7-12)16(21)14-3-2-8-18(14)15(20)13-4-5-13/h11-14,19H,2-10H2,1H3
InChIKeyXLPKSKFRMZTJLZ-UHFFFAOYSA-N
XLogP1.01
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[2-[4-(1-hydroxyethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[2-[4-(1-hydroxyethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]methanone (CID 106837048) is cyclopropyl-[2-[4-(1-hydroxyethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[2-[4-(1-hydroxyethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[2-[4-(1-hydroxyethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]methanone is CC(O)C1CCN(C(=O)C2CCCN2C(=O)C2CC2)CC1.
What is the InChIKey of cyclopropyl-[2-[4-(1-hydroxyethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]methanone?
The InChIKey is XLPKSKFRMZTJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-11(19)12-6-9-17(10-7-12)16(21)14-3-2-8-18(14)15(20)13-4-5-13/h11-14,19H,2-10H2,1H3.
What are the key properties of cyclopropyl-[2-[4-(1-hydroxyethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]methanone?
cyclopropyl-[2-[4-(1-hydroxyethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]methanone has a molecular weight of 294.39 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[2-[4-(1-hydroxyethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 106837048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).