1-cyclopentyl-3-[1-(oxolane-2-carbonyl)piperidin-4-yl]urea

C16H27N3O3 — CID 110819796

IUPAC1-cyclopentyl-3-[1-(oxolane-2-carbonyl)piperidin-4-yl]urea
SMILESO=C(NC1CCCC1)NC1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C16H27N3O3/c20-15(14-6-3-11-22-14)19-9-7-13(8-10-19)18-16(21)17-12-4-1-2-5-12/h12-14H,1-11H2,(H2,17,18,21)
InChIKeyHTSSRMIDDSJDJV-UHFFFAOYSA-N
MW309.41 g/mol
LogP1.40
Rot. Bonds3

About 1-cyclopentyl-3-[1-(oxolane-2-carbonyl)piperidin-4-yl]urea

1-cyclopentyl-3-[1-(oxolane-2-carbonyl)piperidin-4-yl]urea (PubChem CID 110819796) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is 1-cyclopentyl-3-[1-(oxolane-2-carbonyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[1-(oxolane-2-carbonyl)piperidin-4-yl]urea
PubChem CID110819796
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC Name1-cyclopentyl-3-[1-(oxolane-2-carbonyl)piperidin-4-yl]urea
SMILESO=C(NC1CCCC1)NC1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C16H27N3O3/c20-15(14-6-3-11-22-14)19-9-7-13(8-10-19)18-16(21)17-12-4-1-2-5-12/h12-14H,1-11H2,(H2,17,18,21)
InChIKeyHTSSRMIDDSJDJV-UHFFFAOYSA-N
XLogP1.40
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(oxolane-2-carbonyl)piperidin-4-yl]carbamic acid
CID 156534121
N-cyclooctyl-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
CID 78787879
1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-3-cyclopentylurea
CID 110820027
[3-(methylamino)pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 104856430
azepan-1-yl(oxan-2-yl)methanone
CID 64592467
cyclooctyl-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]methanone
CID 97216636
2-chloro-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]benzamide
CID 110819750
(2S)-N-cyclopentyloxolane-2-carboxamide
CID 7368997
(2R)-N-cyclopentyloxolane-2-carboxamide
CID 7368998
[(2S)-oxolan-2-yl]-[(4S)-4-propan-2-ylazepan-1-yl]methanone
CID 95627899
[(3R)-3-(cyclopropylamino)piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 174348554
[3-(methylamino)piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 104856209

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[1-(oxolane-2-carbonyl)piperidin-4-yl]urea?
The IUPAC name of 1-cyclopentyl-3-[1-(oxolane-2-carbonyl)piperidin-4-yl]urea (CID 110819796) is 1-cyclopentyl-3-[1-(oxolane-2-carbonyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[1-(oxolane-2-carbonyl)piperidin-4-yl]urea?
The canonical SMILES for 1-cyclopentyl-3-[1-(oxolane-2-carbonyl)piperidin-4-yl]urea is O=C(NC1CCCC1)NC1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of 1-cyclopentyl-3-[1-(oxolane-2-carbonyl)piperidin-4-yl]urea?
The InChIKey is HTSSRMIDDSJDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3/c20-15(14-6-3-11-22-14)19-9-7-13(8-10-19)18-16(21)17-12-4-1-2-5-12/h12-14H,1-11H2,(H2,17,18,21).
What are the key properties of 1-cyclopentyl-3-[1-(oxolane-2-carbonyl)piperidin-4-yl]urea?
1-cyclopentyl-3-[1-(oxolane-2-carbonyl)piperidin-4-yl]urea has a molecular weight of 309.41 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[1-(oxolane-2-carbonyl)piperidin-4-yl]urea is sourced from PubChem (CID 110819796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).