1-[[(3S)-oxolan-3-yl]methyl]-3-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]urea

C15H23N5O2 — CID 94124298

IUPAC1-[[(3S)-oxolan-3-yl]methyl]-3-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]urea
SMILESO=C(NC[C@@H]1CCOC1)N[C@@H]1CCCN(c2ncccn2)C1
InChIInChI=1S/C15H23N5O2/c21-15(18-9-12-4-8-22-11-12)19-13-3-1-7-20(10-13)14-16-5-2-6-17-14/h2,5-6,12-13H,1,3-4,7-11H2,(H2,18,19,21)/t12-,13+/m0/s1
InChIKeyQJKQLOCKBRRYSA-QWHCGFSZSA-N
MW305.38 g/mol
LogP0.78
Rot. Bonds4

About 1-[[(3S)-oxolan-3-yl]methyl]-3-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]urea

1-[[(3S)-oxolan-3-yl]methyl]-3-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]urea (PubChem CID 94124298) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-[[(3S)-oxolan-3-yl]methyl]-3-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]urea.

Molecular Properties

Compound Name1-[[(3S)-oxolan-3-yl]methyl]-3-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]urea
PubChem CID94124298
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name1-[[(3S)-oxolan-3-yl]methyl]-3-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]urea
SMILESO=C(NC[C@@H]1CCOC1)N[C@@H]1CCCN(c2ncccn2)C1
InChIInChI=1S/C15H23N5O2/c21-15(18-9-12-4-8-22-11-12)19-13-3-1-7-20(10-13)14-16-5-2-6-17-14/h2,5-6,12-13H,1,3-4,7-11H2,(H2,18,19,21)/t12-,13+/m0/s1
InChIKeyQJKQLOCKBRRYSA-QWHCGFSZSA-N
XLogP0.78
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[(3S)-oxolan-3-yl]methyl]-3-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]urea with MolForge

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Related Compounds

1-ethyl-1-(oxolan-3-ylmethyl)-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea
CID 53498159
(3R)-N-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 96557148
N-[[(3S)-oxolan-3-yl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 94124309
N-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpiperidin-3-amine
CID 62386502
1-[(5-ethylthiophen-2-yl)methyl]-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea
CID 51084671
1-(2,3,3a,4,5,6,7,7a-octahydro-1H-benzotriazol-5-yl)-3-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]urea
CID 134089920
1-[(4-morpholin-4-ylsulfonylphenyl)methyl]-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea
CID 55768855
N-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 110252079
N-butan-2-yl-3-[(1-pyrimidin-2-ylpiperidin-3-yl)carbamoylamino]propanamide
CID 51089111
(2S)-2-amino-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide
CID 79024327
2-[4-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]carbamoylamino]pyrazol-1-yl]acetamide
CID 95151795
N-(oxan-4-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108912953

Frequently Asked Questions

What is the IUPAC name of 1-[[(3S)-oxolan-3-yl]methyl]-3-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]urea?
The IUPAC name of 1-[[(3S)-oxolan-3-yl]methyl]-3-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]urea (CID 94124298) is 1-[[(3S)-oxolan-3-yl]methyl]-3-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]urea.
What is the SMILES notation for 1-[[(3S)-oxolan-3-yl]methyl]-3-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]urea?
The canonical SMILES for 1-[[(3S)-oxolan-3-yl]methyl]-3-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]urea is O=C(NC[C@@H]1CCOC1)N[C@@H]1CCCN(c2ncccn2)C1.
What is the InChIKey of 1-[[(3S)-oxolan-3-yl]methyl]-3-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]urea?
The InChIKey is QJKQLOCKBRRYSA-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H23N5O2/c21-15(18-9-12-4-8-22-11-12)19-13-3-1-7-20(10-13)14-16-5-2-6-17-14/h2,5-6,12-13H,1,3-4,7-11H2,(H2,18,19,21)/t12-,13+/m0/s1.
What are the key properties of 1-[[(3S)-oxolan-3-yl]methyl]-3-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]urea?
1-[[(3S)-oxolan-3-yl]methyl]-3-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]urea has a molecular weight of 305.38 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3S)-oxolan-3-yl]methyl]-3-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]urea is sourced from PubChem (CID 94124298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).