1-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(6-piperidin-1-yl-3-pyridinyl)urea

C19H29N5O — CID 100852720

IUPAC1-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(6-piperidin-1-yl-3-pyridinyl)urea
SMILESO=C(Nc1ccc(N2CCCCC2)nc1)N[C@H]1CCN2CCCC[C@@H]12
InChIInChI=1S/C19H29N5O/c25-19(22-16-9-13-23-10-5-2-6-17(16)23)21-15-7-8-18(20-14-15)24-11-3-1-4-12-24/h7-8,14,16-17H,1-6,9-13H2,(H2,21,22,25)/t16-,17-/m0/s1
InChIKeyUADOYXJGMLVWAT-IRXDYDNUSA-N
MW343.48 g/mol
LogP2.82
Rot. Bonds3

About 1-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(6-piperidin-1-yl-3-pyridinyl)urea

1-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(6-piperidin-1-yl-3-pyridinyl)urea (PubChem CID 100852720) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is 1-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(6-piperidin-1-yl-3-pyridinyl)urea.

Molecular Properties

Compound Name1-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(6-piperidin-1-yl-3-pyridinyl)urea
PubChem CID100852720
Molecular FormulaC19H29N5O
Molecular Weight343.48 g/mol
Exact Mass343.24
IUPAC Name1-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(6-piperidin-1-yl-3-pyridinyl)urea
SMILESO=C(Nc1ccc(N2CCCCC2)nc1)N[C@H]1CCN2CCCC[C@@H]12
InChIInChI=1S/C19H29N5O/c25-19(22-16-9-13-23-10-5-2-6-17(16)23)21-15-7-8-18(20-14-15)24-11-3-1-4-12-24/h7-8,14,16-17H,1-6,9-13H2,(H2,21,22,25)/t16-,17-/m0/s1
InChIKeyUADOYXJGMLVWAT-IRXDYDNUSA-N
XLogP2.82
TPSA60.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(6-piperidin-1-yl-3-pyridinyl)urea with MolForge

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Related Compounds

1-(4-hydroxycyclohexyl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
CID 75461240
1-cyclohexyl-3-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]urea
CID 113011163
N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 51724704
1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-naphthalen-2-ylurea
CID 78891490
3-(cyclohexylcarbamoylamino)-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 16622915
N-[6-(azepan-1-yl)-3-pyridinyl]-2-(cycloheptylamino)acetamide
CID 155391842
N-[6-(azepan-1-yl)-3-pyridinyl]-2-(cyclohexylamino)acetamide
CID 155391840
3-cyclopentyl-N-(6-piperidin-1-yl-3-pyridinyl)propanamide
CID 52549781
1-[(1S,2S)-2-(3-fluorophenyl)cyclopropyl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
CID 94991579
1-cyclopropyl-3-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]urea
CID 113010170
N-(6-piperidin-1-yl-3-pyridinyl)oxane-4-carboxamide
CID 30179936
N-cyclohexyl-6-piperidin-1-ylpyridin-3-amine
CID 43690330

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(6-piperidin-1-yl-3-pyridinyl)urea?
The IUPAC name of 1-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(6-piperidin-1-yl-3-pyridinyl)urea (CID 100852720) is 1-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(6-piperidin-1-yl-3-pyridinyl)urea.
What is the SMILES notation for 1-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(6-piperidin-1-yl-3-pyridinyl)urea?
The canonical SMILES for 1-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(6-piperidin-1-yl-3-pyridinyl)urea is O=C(Nc1ccc(N2CCCCC2)nc1)N[C@H]1CCN2CCCC[C@@H]12.
What is the InChIKey of 1-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(6-piperidin-1-yl-3-pyridinyl)urea?
The InChIKey is UADOYXJGMLVWAT-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H29N5O/c25-19(22-16-9-13-23-10-5-2-6-17(16)23)21-15-7-8-18(20-14-15)24-11-3-1-4-12-24/h7-8,14,16-17H,1-6,9-13H2,(H2,21,22,25)/t16-,17-/m0/s1.
What are the key properties of 1-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(6-piperidin-1-yl-3-pyridinyl)urea?
1-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(6-piperidin-1-yl-3-pyridinyl)urea has a molecular weight of 343.48 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(6-piperidin-1-yl-3-pyridinyl)urea is sourced from PubChem (CID 100852720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).