1-[1-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperidin-4-yl]-3-(naphthalen-1-ylmethyl)urea

C24H35N3O3 — CID 91812562

IUPAC1-[1-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperidin-4-yl]-3-(naphthalen-1-ylmethyl)urea
SMILESCC(C)(C)OCC(O)CN1CCC(NC(=O)NCc2cccc3ccccc23)CC1
InChIInChI=1S/C24H35N3O3/c1-24(2,3)30-17-21(28)16-27-13-11-20(12-14-27)26-23(29)25-15-19-9-6-8-18-7-4-5-10-22(18)19/h4-10,20-21,28H,11-17H2,1-3H3,(H2,25,26,29)
InChIKeyAWIJTDRZKATTHC-UHFFFAOYSA-N
MW413.56 g/mol
LogP3.28
Rot. Bonds7

About 1-[1-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperidin-4-yl]-3-(naphthalen-1-ylmethyl)urea

1-[1-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperidin-4-yl]-3-(naphthalen-1-ylmethyl)urea (PubChem CID 91812562) has the molecular formula C24H35N3O3 and a molecular weight of 413.56 g/mol. Its IUPAC name is 1-[1-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperidin-4-yl]-3-(naphthalen-1-ylmethyl)urea.

Molecular Properties

Compound Name1-[1-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperidin-4-yl]-3-(naphthalen-1-ylmethyl)urea
PubChem CID91812562
Molecular FormulaC24H35N3O3
Molecular Weight413.56 g/mol
Exact Mass413.27
IUPAC Name1-[1-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperidin-4-yl]-3-(naphthalen-1-ylmethyl)urea
SMILESCC(C)(C)OCC(O)CN1CCC(NC(=O)NCc2cccc3ccccc23)CC1
InChIInChI=1S/C24H35N3O3/c1-24(2,3)30-17-21(28)16-27-13-11-20(12-14-27)26-23(29)25-15-19-9-6-8-18-7-4-5-10-22(18)19/h4-10,20-21,28H,11-17H2,1-3H3,(H2,25,26,29)
InChIKeyAWIJTDRZKATTHC-UHFFFAOYSA-N
XLogP3.28
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.56
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]-N-(naphthalen-1-ylmethyl)piperazine-1-carboxamide
CID 124852194
(2R)-1-(4-benzylpiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 40786891
1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-[(2-propan-2-yloxyphenyl)methyl]urea
CID 48957306
(2R)-1-[(2-methylpropan-2-yl)oxy]-3-[(3R)-3-phenylpyrrolidin-1-yl]propan-2-ol
CID 94824860
2-ethoxy-N-[2-[4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]ethyl]naphthalene-1-carboxamide
CID 91812891
1-(naphthalen-1-ylmethyl)-3-[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]urea
CID 124759538
2-[[1-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperidin-4-yl]methyl]benzo[de]isoquinoline-1,3-dione
CID 91812558
N-[2-[4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]ethyl]naphthalene-2-carboxamide
CID 124761014
(2S)-N-cyclopropyl-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propanamide
CID 9047076
1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(naphthalen-1-ylmethyl)urea
CID 110911378
1-[(2,4-dichlorophenyl)methyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea
CID 51117380
methyl 4-[[N'-methyl-N-(naphthalen-1-ylmethyl)carbamimidoyl]amino]piperidine-1-carboxylate
CID 111978160

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperidin-4-yl]-3-(naphthalen-1-ylmethyl)urea?
The IUPAC name of 1-[1-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperidin-4-yl]-3-(naphthalen-1-ylmethyl)urea (CID 91812562) is 1-[1-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperidin-4-yl]-3-(naphthalen-1-ylmethyl)urea.
What is the SMILES notation for 1-[1-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperidin-4-yl]-3-(naphthalen-1-ylmethyl)urea?
The canonical SMILES for 1-[1-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperidin-4-yl]-3-(naphthalen-1-ylmethyl)urea is CC(C)(C)OCC(O)CN1CCC(NC(=O)NCc2cccc3ccccc23)CC1.
What is the InChIKey of 1-[1-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperidin-4-yl]-3-(naphthalen-1-ylmethyl)urea?
The InChIKey is AWIJTDRZKATTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O3/c1-24(2,3)30-17-21(28)16-27-13-11-20(12-14-27)26-23(29)25-15-19-9-6-8-18-7-4-5-10-22(18)19/h4-10,20-21,28H,11-17H2,1-3H3,(H2,25,26,29).
What are the key properties of 1-[1-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperidin-4-yl]-3-(naphthalen-1-ylmethyl)urea?
1-[1-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperidin-4-yl]-3-(naphthalen-1-ylmethyl)urea has a molecular weight of 413.56 g/mol, XLogP of 3.28, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperidin-4-yl]-3-(naphthalen-1-ylmethyl)urea is sourced from PubChem (CID 91812562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).