3-[(3S)-3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one

C16H20N4O2 — CID 97132008

IUPAC3-[(3S)-3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCCn1ccnc1[C@H]1CCCN(C(=O)c2ccc[nH]c2=O)C1
InChIInChI=1S/C16H20N4O2/c1-2-19-10-8-17-14(19)12-5-4-9-20(11-12)16(22)13-6-3-7-18-15(13)21/h3,6-8,10,12H,2,4-5,9,11H2,1H3,(H,18,21)/t12-/m0/s1
InChIKeyJVYNGAMESHZKCY-LBPRGKRZSA-N
MW300.36 g/mol
LogP1.61
Rot. Bonds3

About 3-[(3S)-3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one

3-[(3S)-3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 97132008) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-[(3S)-3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[(3S)-3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID97132008
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name3-[(3S)-3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCCn1ccnc1[C@H]1CCCN(C(=O)c2ccc[nH]c2=O)C1
InChIInChI=1S/C16H20N4O2/c1-2-19-10-8-17-14(19)12-5-4-9-20(11-12)16(22)13-6-3-7-18-15(13)21/h3,6-8,10,12H,2,4-5,9,11H2,1H3,(H,18,21)/t12-/m0/s1
InChIKeyJVYNGAMESHZKCY-LBPRGKRZSA-N
XLogP1.61
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 3-[(3S)-3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one (CID 97132008) is 3-[(3S)-3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[(3S)-3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 3-[(3S)-3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one is CCn1ccnc1[C@H]1CCCN(C(=O)c2ccc[nH]c2=O)C1.
What is the InChIKey of 3-[(3S)-3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is JVYNGAMESHZKCY-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-2-19-10-8-17-14(19)12-5-4-9-20(11-12)16(22)13-6-3-7-18-15(13)21/h3,6-8,10,12H,2,4-5,9,11H2,1H3,(H,18,21)/t12-/m0/s1.
What are the key properties of 3-[(3S)-3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?
3-[(3S)-3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 300.36 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 97132008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).