1-(1-oxaspiro[4.4]nonan-4-yl)-3-(1-phenylpiperidin-4-yl)urea

C20H29N3O2 — CID 136568794

IUPAC1-(1-oxaspiro[4.4]nonan-4-yl)-3-(1-phenylpiperidin-4-yl)urea
SMILESO=C(NC1CCN(c2ccccc2)CC1)NC1CCOC12CCCC2
InChIInChI=1S/C20H29N3O2/c24-19(22-18-10-15-25-20(18)11-4-5-12-20)21-16-8-13-23(14-9-16)17-6-2-1-3-7-17/h1-3,6-7,16,18H,4-5,8-15H2,(H2,21,22,24)
InChIKeySFXWOMVBIOVZLS-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.06
Rot. Bonds3

About 1-(1-oxaspiro[4.4]nonan-4-yl)-3-(1-phenylpiperidin-4-yl)urea

1-(1-oxaspiro[4.4]nonan-4-yl)-3-(1-phenylpiperidin-4-yl)urea (PubChem CID 136568794) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 1-(1-oxaspiro[4.4]nonan-4-yl)-3-(1-phenylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-(1-oxaspiro[4.4]nonan-4-yl)-3-(1-phenylpiperidin-4-yl)urea
PubChem CID136568794
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name1-(1-oxaspiro[4.4]nonan-4-yl)-3-(1-phenylpiperidin-4-yl)urea
SMILESO=C(NC1CCN(c2ccccc2)CC1)NC1CCOC12CCCC2
InChIInChI=1S/C20H29N3O2/c24-19(22-18-10-15-25-20(18)11-4-5-12-20)21-16-8-13-23(14-9-16)17-6-2-1-3-7-17/h1-3,6-7,16,18H,4-5,8-15H2,(H2,21,22,24)
InChIKeySFXWOMVBIOVZLS-UHFFFAOYSA-N
XLogP3.06
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-phenylpiperidin-4-yl)-3-(thietan-3-yl)urea
CID 136562095
1-cyclopropyl-3-[(3S)-1-phenylpyrrolidin-3-yl]urea
CID 95312527
N-(1-phenylpiperidin-4-yl)acetamide;hydrochloride
CID 155657873
1-[(1S,2R)-2-phenylcyclopropyl]-3-(1-phenylpiperidin-4-yl)urea
CID 51050042
1-phenylmethoxy-3-(1-phenylpiperidin-4-yl)urea
CID 86842294
2-amino-2-(oxan-4-yl)-N-(1-phenylpiperidin-4-yl)acetamide
CID 120798994
N-(1-oxaspiro[4.4]nonan-4-yl)-1-pyridazin-3-ylpiperidin-4-amine
CID 146141193
1-[[(1-phenylpiperidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 103783455
1-cyclobutyl-3-[(1-phenylpiperidin-4-yl)methyl]urea
CID 141180797
1-(1-phenylpiperidin-4-yl)-3-(1H-pyrrolo[3,2-b]pyridin-3-yl)urea
CID 146642263
1-(1-phenylpiperidin-4-yl)-3-[4-(triazol-2-yl)phenyl]urea
CID 86830732
2-[1-[2-oxo-2-[(1-phenylpyrrolidin-3-yl)amino]ethyl]cyclohexyl]acetic acid
CID 119125137

Frequently Asked Questions

What is the IUPAC name of 1-(1-oxaspiro[4.4]nonan-4-yl)-3-(1-phenylpiperidin-4-yl)urea?
The IUPAC name of 1-(1-oxaspiro[4.4]nonan-4-yl)-3-(1-phenylpiperidin-4-yl)urea (CID 136568794) is 1-(1-oxaspiro[4.4]nonan-4-yl)-3-(1-phenylpiperidin-4-yl)urea.
What is the SMILES notation for 1-(1-oxaspiro[4.4]nonan-4-yl)-3-(1-phenylpiperidin-4-yl)urea?
The canonical SMILES for 1-(1-oxaspiro[4.4]nonan-4-yl)-3-(1-phenylpiperidin-4-yl)urea is O=C(NC1CCN(c2ccccc2)CC1)NC1CCOC12CCCC2.
What is the InChIKey of 1-(1-oxaspiro[4.4]nonan-4-yl)-3-(1-phenylpiperidin-4-yl)urea?
The InChIKey is SFXWOMVBIOVZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c24-19(22-18-10-15-25-20(18)11-4-5-12-20)21-16-8-13-23(14-9-16)17-6-2-1-3-7-17/h1-3,6-7,16,18H,4-5,8-15H2,(H2,21,22,24).
What are the key properties of 1-(1-oxaspiro[4.4]nonan-4-yl)-3-(1-phenylpiperidin-4-yl)urea?
1-(1-oxaspiro[4.4]nonan-4-yl)-3-(1-phenylpiperidin-4-yl)urea has a molecular weight of 343.47 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-oxaspiro[4.4]nonan-4-yl)-3-(1-phenylpiperidin-4-yl)urea is sourced from PubChem (CID 136568794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).