(4-but-2-en-2-ylpiperidin-1-yl)-(1-propan-2-ylpyrrolidin-2-yl)methanone

C17H30N2O — CID 90874169

IUPAC(4-but-2-en-2-ylpiperidin-1-yl)-(1-propan-2-ylpyrrolidin-2-yl)methanone
SMILESCC=C(C)C1CCN(C(=O)C2CCCN2C(C)C)CC1
InChIInChI=1S/C17H30N2O/c1-5-14(4)15-8-11-18(12-9-15)17(20)16-7-6-10-19(16)13(2)3/h5,13,15-16H,6-12H2,1-4H3
InChIKeyNFZRUYBWKYSOSN-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.06
Rot. Bonds3

About (4-but-2-en-2-ylpiperidin-1-yl)-(1-propan-2-ylpyrrolidin-2-yl)methanone

(4-but-2-en-2-ylpiperidin-1-yl)-(1-propan-2-ylpyrrolidin-2-yl)methanone (PubChem CID 90874169) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is (4-but-2-en-2-ylpiperidin-1-yl)-(1-propan-2-ylpyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name(4-but-2-en-2-ylpiperidin-1-yl)-(1-propan-2-ylpyrrolidin-2-yl)methanone
PubChem CID90874169
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name(4-but-2-en-2-ylpiperidin-1-yl)-(1-propan-2-ylpyrrolidin-2-yl)methanone
SMILESCC=C(C)C1CCN(C(=O)C2CCCN2C(C)C)CC1
InChIInChI=1S/C17H30N2O/c1-5-14(4)15-8-11-18(12-9-15)17(20)16-7-6-10-19(16)13(2)3/h5,13,15-16H,6-12H2,1-4H3
InChIKeyNFZRUYBWKYSOSN-UHFFFAOYSA-N
XLogP3.06
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-but-2-en-2-ylpiperidin-1-yl)-(1-propan-2-ylpyrrolidin-2-yl)methanone?
The IUPAC name of (4-but-2-en-2-ylpiperidin-1-yl)-(1-propan-2-ylpyrrolidin-2-yl)methanone (CID 90874169) is (4-but-2-en-2-ylpiperidin-1-yl)-(1-propan-2-ylpyrrolidin-2-yl)methanone.
What is the SMILES notation for (4-but-2-en-2-ylpiperidin-1-yl)-(1-propan-2-ylpyrrolidin-2-yl)methanone?
The canonical SMILES for (4-but-2-en-2-ylpiperidin-1-yl)-(1-propan-2-ylpyrrolidin-2-yl)methanone is CC=C(C)C1CCN(C(=O)C2CCCN2C(C)C)CC1.
What is the InChIKey of (4-but-2-en-2-ylpiperidin-1-yl)-(1-propan-2-ylpyrrolidin-2-yl)methanone?
The InChIKey is NFZRUYBWKYSOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-5-14(4)15-8-11-18(12-9-15)17(20)16-7-6-10-19(16)13(2)3/h5,13,15-16H,6-12H2,1-4H3.
What are the key properties of (4-but-2-en-2-ylpiperidin-1-yl)-(1-propan-2-ylpyrrolidin-2-yl)methanone?
(4-but-2-en-2-ylpiperidin-1-yl)-(1-propan-2-ylpyrrolidin-2-yl)methanone has a molecular weight of 278.44 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-but-2-en-2-ylpiperidin-1-yl)-(1-propan-2-ylpyrrolidin-2-yl)methanone is sourced from PubChem (CID 90874169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).