1-[4-(3-methylpyrrolidine-1-carbonyl)piperidin-1-yl]prop-2-en-1-one

C14H22N2O2 — CID 178147785

IUPAC1-[4-(3-methylpyrrolidine-1-carbonyl)piperidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCC(C(=O)N2CCC(C)C2)CC1
InChIInChI=1S/C14H22N2O2/c1-3-13(17)15-8-5-12(6-9-15)14(18)16-7-4-11(2)10-16/h3,11-12H,1,4-10H2,2H3
InChIKeyBYPYQHGSZBINME-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.28
Rot. Bonds2

About 1-[4-(3-methylpyrrolidine-1-carbonyl)piperidin-1-yl]prop-2-en-1-one

1-[4-(3-methylpyrrolidine-1-carbonyl)piperidin-1-yl]prop-2-en-1-one (PubChem CID 178147785) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-[4-(3-methylpyrrolidine-1-carbonyl)piperidin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[4-(3-methylpyrrolidine-1-carbonyl)piperidin-1-yl]prop-2-en-1-one
PubChem CID178147785
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-[4-(3-methylpyrrolidine-1-carbonyl)piperidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCC(C(=O)N2CCC(C)C2)CC1
InChIInChI=1S/C14H22N2O2/c1-3-13(17)15-8-5-12(6-9-15)14(18)16-7-4-11(2)10-16/h3,11-12H,1,4-10H2,2H3
InChIKeyBYPYQHGSZBINME-UHFFFAOYSA-N
XLogP1.28
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methylpyrrolidine-1-carbonyl)piperidin-1-yl]prop-2-en-1-one?
The IUPAC name of 1-[4-(3-methylpyrrolidine-1-carbonyl)piperidin-1-yl]prop-2-en-1-one (CID 178147785) is 1-[4-(3-methylpyrrolidine-1-carbonyl)piperidin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[4-(3-methylpyrrolidine-1-carbonyl)piperidin-1-yl]prop-2-en-1-one?
The canonical SMILES for 1-[4-(3-methylpyrrolidine-1-carbonyl)piperidin-1-yl]prop-2-en-1-one is C=CC(=O)N1CCC(C(=O)N2CCC(C)C2)CC1.
What is the InChIKey of 1-[4-(3-methylpyrrolidine-1-carbonyl)piperidin-1-yl]prop-2-en-1-one?
The InChIKey is BYPYQHGSZBINME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-13(17)15-8-5-12(6-9-15)14(18)16-7-4-11(2)10-16/h3,11-12H,1,4-10H2,2H3.
What are the key properties of 1-[4-(3-methylpyrrolidine-1-carbonyl)piperidin-1-yl]prop-2-en-1-one?
1-[4-(3-methylpyrrolidine-1-carbonyl)piperidin-1-yl]prop-2-en-1-one has a molecular weight of 250.34 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methylpyrrolidine-1-carbonyl)piperidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 178147785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).