3-[2-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethyl]-1H-imidazol-2-one

C16H22N4O2 — CID 124750427

IUPAC3-[2-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethyl]-1H-imidazol-2-one
SMILESO=c1[nH]ccn1CCN1CCC([C@@H](O)c2ccccn2)CC1
InChIInChI=1S/C16H22N4O2/c21-15(14-3-1-2-6-17-14)13-4-8-19(9-5-13)11-12-20-10-7-18-16(20)22/h1-3,6-7,10,13,15,21H,4-5,8-9,11-12H2,(H,18,22)/t15-/m1/s1
InChIKeyCTCYSSUBDSXZRL-OAHLLOKOSA-N
MW302.38 g/mol
LogP1.02
Rot. Bonds5

About 3-[2-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethyl]-1H-imidazol-2-one

3-[2-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethyl]-1H-imidazol-2-one (PubChem CID 124750427) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 3-[2-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[2-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethyl]-1H-imidazol-2-one
PubChem CID124750427
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name3-[2-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethyl]-1H-imidazol-2-one
SMILESO=c1[nH]ccn1CCN1CCC([C@@H](O)c2ccccn2)CC1
InChIInChI=1S/C16H22N4O2/c21-15(14-3-1-2-6-17-14)13-4-8-19(9-5-13)11-12-20-10-7-18-16(20)22/h1-3,6-7,10,13,15,21H,4-5,8-9,11-12H2,(H,18,22)/t15-/m1/s1
InChIKeyCTCYSSUBDSXZRL-OAHLLOKOSA-N
XLogP1.02
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethyl]-1H-imidazol-2-one?
The IUPAC name of 3-[2-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethyl]-1H-imidazol-2-one (CID 124750427) is 3-[2-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethyl]-1H-imidazol-2-one.
What is the SMILES notation for 3-[2-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethyl]-1H-imidazol-2-one?
The canonical SMILES for 3-[2-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethyl]-1H-imidazol-2-one is O=c1[nH]ccn1CCN1CCC([C@@H](O)c2ccccn2)CC1.
What is the InChIKey of 3-[2-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethyl]-1H-imidazol-2-one?
The InChIKey is CTCYSSUBDSXZRL-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H22N4O2/c21-15(14-3-1-2-6-17-14)13-4-8-19(9-5-13)11-12-20-10-7-18-16(20)22/h1-3,6-7,10,13,15,21H,4-5,8-9,11-12H2,(H,18,22)/t15-/m1/s1.
What are the key properties of 3-[2-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethyl]-1H-imidazol-2-one?
3-[2-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethyl]-1H-imidazol-2-one has a molecular weight of 302.38 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethyl]-1H-imidazol-2-one is sourced from PubChem (CID 124750427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).