1-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea

C19H33N5O2 — CID 127965178

IUPAC1-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
SMILESCn1nccc1[C@@H]1OCC[C@H]1CNC(=O)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C19H33N5O2/c1-18(2)10-14(11-19(3,4)23-18)22-17(25)20-12-13-7-9-26-16(13)15-6-8-21-24(15)5/h6,8,13-14,16,23H,7,9-12H2,1-5H3,(H2,20,22,25)/t13-,16+/m0/s1
InChIKeyUGMYQCBGIXZZQS-XJKSGUPXSA-N
MW363.51 g/mol
LogP2.11
Rot. Bonds4

About 1-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea

1-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea (PubChem CID 127965178) has the molecular formula C19H33N5O2 and a molecular weight of 363.51 g/mol. Its IUPAC name is 1-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
PubChem CID127965178
Molecular FormulaC19H33N5O2
Molecular Weight363.51 g/mol
Exact Mass363.26
IUPAC Name1-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
SMILESCn1nccc1[C@@H]1OCC[C@H]1CNC(=O)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C19H33N5O2/c1-18(2)10-14(11-19(3,4)23-18)22-17(25)20-12-13-7-9-26-16(13)15-6-8-21-24(15)5/h6,8,13-14,16,23H,7,9-12H2,1-5H3,(H2,20,22,25)/t13-,16+/m0/s1
InChIKeyUGMYQCBGIXZZQS-XJKSGUPXSA-N
XLogP2.11
TPSA80.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-dicyclopropyl-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]acetamide
CID 127969351
1-(2-chlorothiophen-3-yl)-3-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]urea
CID 129475840
1,2-dimethyl-3-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]guanidine
CID 120965775
[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanol
CID 130949666
N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]-2-pyrrolidin-1-ylethanesulfonamide
CID 100641729
(2R,6S)-2,6-dimethyl-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]oxan-4-amine
CID 129339482
N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]ethenesulfonamide
CID 167933645
1-(azepan-1-yl)-3-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methylamino]butan-1-one
CID 128972283
5-bromo-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]pyrimidin-2-amine
CID 128992017
1-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methyl]urea
CID 126825556
N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine
CID 128976187
2-(6-methoxy-2-pyridinyl)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]acetamide
CID 128970664

Frequently Asked Questions

What is the IUPAC name of 1-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The IUPAC name of 1-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea (CID 127965178) is 1-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea.
What is the SMILES notation for 1-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The canonical SMILES for 1-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea is Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)NC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 1-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The InChIKey is UGMYQCBGIXZZQS-XJKSGUPXSA-N. The full InChI is InChI=1S/C19H33N5O2/c1-18(2)10-14(11-19(3,4)23-18)22-17(25)20-12-13-7-9-26-16(13)15-6-8-21-24(15)5/h6,8,13-14,16,23H,7,9-12H2,1-5H3,(H2,20,22,25)/t13-,16+/m0/s1.
What are the key properties of 1-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
1-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea has a molecular weight of 363.51 g/mol, XLogP of 2.11, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea is sourced from PubChem (CID 127965178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).