1-[2-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]piperidin-2-one

C19H30N4O2 — CID 72919997

IUPAC1-[2-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]piperidin-2-one
SMILESCCCCn1ccnc1C1CCCN(C(=O)CN2CCCCC2=O)C1
InChIInChI=1S/C19H30N4O2/c1-2-3-10-21-13-9-20-19(21)16-7-6-12-22(14-16)18(25)15-23-11-5-4-8-17(23)24/h9,13,16H,2-8,10-12,14-15H2,1H3
InChIKeyNNEQMHRVHXKUJT-UHFFFAOYSA-N
MW346.48 g/mol
LogP2.40
Rot. Bonds6

About 1-[2-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]piperidin-2-one

1-[2-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]piperidin-2-one (PubChem CID 72919997) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 1-[2-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]piperidin-2-one.

Molecular Properties

Compound Name1-[2-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]piperidin-2-one
PubChem CID72919997
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name1-[2-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]piperidin-2-one
SMILESCCCCn1ccnc1C1CCCN(C(=O)CN2CCCCC2=O)C1
InChIInChI=1S/C19H30N4O2/c1-2-3-10-21-13-9-20-19(21)16-7-6-12-22(14-16)18(25)15-23-11-5-4-8-17(23)24/h9,13,16H,2-8,10-12,14-15H2,1H3
InChIKeyNNEQMHRVHXKUJT-UHFFFAOYSA-N
XLogP2.40
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]piperidin-2-one?
The IUPAC name of 1-[2-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]piperidin-2-one (CID 72919997) is 1-[2-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]piperidin-2-one.
What is the SMILES notation for 1-[2-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]piperidin-2-one?
The canonical SMILES for 1-[2-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]piperidin-2-one is CCCCn1ccnc1C1CCCN(C(=O)CN2CCCCC2=O)C1.
What is the InChIKey of 1-[2-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]piperidin-2-one?
The InChIKey is NNEQMHRVHXKUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-2-3-10-21-13-9-20-19(21)16-7-6-12-22(14-16)18(25)15-23-11-5-4-8-17(23)24/h9,13,16H,2-8,10-12,14-15H2,1H3.
What are the key properties of 1-[2-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]piperidin-2-one?
1-[2-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]piperidin-2-one has a molecular weight of 346.48 g/mol, XLogP of 2.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]piperidin-2-one is sourced from PubChem (CID 72919997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).