1-(1-propan-2-ylpiperidin-4-yl)-3-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]urea

C19H33N3O — CID 124864947

IUPAC1-(1-propan-2-ylpiperidin-4-yl)-3-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]urea
SMILESCC(C)N1CCC(NC(=O)N[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)CC1
InChIInChI=1S/C19H33N3O/c1-12(2)22-8-6-14(7-9-22)20-19(23)21-18-11-13-10-17(18)16-5-3-4-15(13)16/h12-18H,3-11H2,1-2H3,(H2,20,21,23)/t13-,15+,16-,17+,18-/m1/s1
InChIKeyKUBFXYBUNCITKH-QRIFCXAISA-N
MW319.49 g/mol
LogP2.98
Rot. Bonds3

About 1-(1-propan-2-ylpiperidin-4-yl)-3-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]urea

1-(1-propan-2-ylpiperidin-4-yl)-3-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]urea (PubChem CID 124864947) has the molecular formula C19H33N3O and a molecular weight of 319.49 g/mol. Its IUPAC name is 1-(1-propan-2-ylpiperidin-4-yl)-3-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]urea.

Molecular Properties

Compound Name1-(1-propan-2-ylpiperidin-4-yl)-3-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]urea
PubChem CID124864947
Molecular FormulaC19H33N3O
Molecular Weight319.49 g/mol
Exact Mass319.26
IUPAC Name1-(1-propan-2-ylpiperidin-4-yl)-3-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]urea
SMILESCC(C)N1CCC(NC(=O)N[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)CC1
InChIInChI=1S/C19H33N3O/c1-12(2)22-8-6-14(7-9-22)20-19(23)21-18-11-13-10-17(18)16-5-3-4-15(13)16/h12-18H,3-11H2,1-2H3,(H2,20,21,23)/t13-,15+,16-,17+,18-/m1/s1
InChIKeyKUBFXYBUNCITKH-QRIFCXAISA-N
XLogP2.98
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.49
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(1-propan-2-ylpiperidin-4-yl)-3-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]urea with MolForge

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Related Compounds

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CID 43700055
2-amino-N-(8-tricyclo[5.2.1.02,6]decanyl)pentanamide
CID 43710212
N-[(1R,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]cyclopentanecarboxamide
CID 124785473
2-(8-tricyclo[5.2.1.02,6]decanylamino)propanamide
CID 43402411
2-methyl-N'-(8-tricyclo[5.2.1.02,6]decanyl)propanehydrazide
CID 58683007
3-(ethylamino)-N-(8-tricyclo[5.2.1.02,6]decanyl)butanamide
CID 62839360
N-(1-propan-2-ylpiperidin-4-yl)cyclopropanecarboxamide
CID 25236585
2-methyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;molecular hydrogen
CID 176982787
1-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)piperidin-4-amine
CID 43392317
2-tert-butylsulfanyl-N-(8-tricyclo[5.2.1.02,6]decanyl)acetamide
CID 78858492
2-[4-(cyclohexylcarbamoylamino)piperidin-1-yl]-N-cyclopropylpropanamide
CID 60573199

Frequently Asked Questions

What is the IUPAC name of 1-(1-propan-2-ylpiperidin-4-yl)-3-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]urea?
The IUPAC name of 1-(1-propan-2-ylpiperidin-4-yl)-3-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]urea (CID 124864947) is 1-(1-propan-2-ylpiperidin-4-yl)-3-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]urea.
What is the SMILES notation for 1-(1-propan-2-ylpiperidin-4-yl)-3-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]urea?
The canonical SMILES for 1-(1-propan-2-ylpiperidin-4-yl)-3-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]urea is CC(C)N1CCC(NC(=O)N[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)CC1.
What is the InChIKey of 1-(1-propan-2-ylpiperidin-4-yl)-3-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]urea?
The InChIKey is KUBFXYBUNCITKH-QRIFCXAISA-N. The full InChI is InChI=1S/C19H33N3O/c1-12(2)22-8-6-14(7-9-22)20-19(23)21-18-11-13-10-17(18)16-5-3-4-15(13)16/h12-18H,3-11H2,1-2H3,(H2,20,21,23)/t13-,15+,16-,17+,18-/m1/s1.
What are the key properties of 1-(1-propan-2-ylpiperidin-4-yl)-3-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]urea?
1-(1-propan-2-ylpiperidin-4-yl)-3-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]urea has a molecular weight of 319.49 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propan-2-ylpiperidin-4-yl)-3-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]urea is sourced from PubChem (CID 124864947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).