1-[[(2S,4R)-4-phenyloxolan-2-yl]methyl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea

C22H28N4O2 — CID 167813911

IUPAC1-[[(2S,4R)-4-phenyloxolan-2-yl]methyl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea
SMILESO=C(NC[C@@H]1C[C@H](c2ccccc2)CO1)NC1CCN(c2ccccn2)CC1
InChIInChI=1S/C22H28N4O2/c27-22(24-15-20-14-18(16-28-20)17-6-2-1-3-7-17)25-19-9-12-26(13-10-19)21-8-4-5-11-23-21/h1-8,11,18-20H,9-10,12-16H2,(H2,24,25,27)/t18-,20-/m0/s1
InChIKeySGKXDRRVPBPSEV-ICSRJNTNSA-N
MW380.49 g/mol
LogP2.92
Rot. Bonds5

About 1-[[(2S,4R)-4-phenyloxolan-2-yl]methyl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea

1-[[(2S,4R)-4-phenyloxolan-2-yl]methyl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea (PubChem CID 167813911) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 1-[[(2S,4R)-4-phenyloxolan-2-yl]methyl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-[[(2S,4R)-4-phenyloxolan-2-yl]methyl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea
PubChem CID167813911
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name1-[[(2S,4R)-4-phenyloxolan-2-yl]methyl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea
SMILESO=C(NC[C@@H]1C[C@H](c2ccccc2)CO1)NC1CCN(c2ccccn2)CC1
InChIInChI=1S/C22H28N4O2/c27-22(24-15-20-14-18(16-28-20)17-6-2-1-3-7-17)25-19-9-12-26(13-10-19)21-8-4-5-11-23-21/h1-8,11,18-20H,9-10,12-16H2,(H2,24,25,27)/t18-,20-/m0/s1
InChIKeySGKXDRRVPBPSEV-ICSRJNTNSA-N
XLogP2.92
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[(2S,4R)-4-phenyloxolan-2-yl]methyl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea?
The IUPAC name of 1-[[(2S,4R)-4-phenyloxolan-2-yl]methyl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea (CID 167813911) is 1-[[(2S,4R)-4-phenyloxolan-2-yl]methyl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea.
What is the SMILES notation for 1-[[(2S,4R)-4-phenyloxolan-2-yl]methyl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea?
The canonical SMILES for 1-[[(2S,4R)-4-phenyloxolan-2-yl]methyl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea is O=C(NC[C@@H]1C[C@H](c2ccccc2)CO1)NC1CCN(c2ccccn2)CC1.
What is the InChIKey of 1-[[(2S,4R)-4-phenyloxolan-2-yl]methyl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea?
The InChIKey is SGKXDRRVPBPSEV-ICSRJNTNSA-N. The full InChI is InChI=1S/C22H28N4O2/c27-22(24-15-20-14-18(16-28-20)17-6-2-1-3-7-17)25-19-9-12-26(13-10-19)21-8-4-5-11-23-21/h1-8,11,18-20H,9-10,12-16H2,(H2,24,25,27)/t18-,20-/m0/s1.
What are the key properties of 1-[[(2S,4R)-4-phenyloxolan-2-yl]methyl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea?
1-[[(2S,4R)-4-phenyloxolan-2-yl]methyl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea has a molecular weight of 380.49 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2S,4R)-4-phenyloxolan-2-yl]methyl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea is sourced from PubChem (CID 167813911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).