1-(cyclobutylmethyl)-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]urea

C15H25N3O2 — CID 47186734

IUPAC1-(cyclobutylmethyl)-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]urea
SMILESO=C(NCC1CCC1)NC1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C15H25N3O2/c19-14(12-4-5-12)18-8-6-13(7-9-18)17-15(20)16-10-11-2-1-3-11/h11-13H,1-10H2,(H2,16,17,20)
InChIKeyQRNHHQJQUQYBAT-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.49
Rot. Bonds4

About 1-(cyclobutylmethyl)-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]urea

1-(cyclobutylmethyl)-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]urea (PubChem CID 47186734) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]urea
PubChem CID47186734
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name1-(cyclobutylmethyl)-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]urea
SMILESO=C(NCC1CCC1)NC1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C15H25N3O2/c19-14(12-4-5-12)18-8-6-13(7-9-18)17-15(20)16-10-11-2-1-3-11/h11-13H,1-10H2,(H2,16,17,20)
InChIKeyQRNHHQJQUQYBAT-UHFFFAOYSA-N
XLogP1.49
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-3-cyclopentylurea
CID 110820027
1-cyclododecyl-3-(cyclohexylmethyl)urea
CID 108902864
1-(cyclooctylmethyl)-3-cyclopropylurea
CID 87025156
1-[(1-acetylpiperidin-4-yl)methyl]-3-cyclohexylurea
CID 110749270
cyclopropyl-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 43747911
1-cyclopropyl-3-[[(1R,3R)-3-[(cyclopropylcarbamoylamino)methyl]cyclohexyl]methyl]urea
CID 26974860
1-(1-acetylpiperidin-4-yl)-3-(oxan-4-ylmethyl)urea
CID 25072677
N-[1-(cyclobutanecarbonyl)piperidin-4-yl]acetamide
CID 49348874
cycloheptyl-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 81483591
1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[[1-(3,4-dimethylphenyl)cyclobutyl]methyl]urea
CID 139010914
1-[(3-aminocyclohexyl)methyl]-3-cyclobutylurea
CID 106125254
1-cyclohexyl-3-[1-(piperidine-4-carbonyl)piperidin-4-yl]urea
CID 119304273

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]urea?
The IUPAC name of 1-(cyclobutylmethyl)-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]urea (CID 47186734) is 1-(cyclobutylmethyl)-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-(cyclobutylmethyl)-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]urea?
The canonical SMILES for 1-(cyclobutylmethyl)-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]urea is O=C(NCC1CCC1)NC1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of 1-(cyclobutylmethyl)-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]urea?
The InChIKey is QRNHHQJQUQYBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c19-14(12-4-5-12)18-8-6-13(7-9-18)17-15(20)16-10-11-2-1-3-11/h11-13H,1-10H2,(H2,16,17,20).
What are the key properties of 1-(cyclobutylmethyl)-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]urea?
1-(cyclobutylmethyl)-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]urea has a molecular weight of 279.38 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]urea is sourced from PubChem (CID 47186734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).