1-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-3-(1-hydroxypropan-2-yl)urea

C15H29N3O2 — CID 110028426

IUPAC1-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-3-(1-hydroxypropan-2-yl)urea
SMILESCC(CO)NC(=O)NC(C)C1CCCN(C2CCC2)C1
InChIInChI=1S/C15H29N3O2/c1-11(10-19)16-15(20)17-12(2)13-5-4-8-18(9-13)14-6-3-7-14/h11-14,19H,3-10H2,1-2H3,(H2,16,17,20)
InChIKeyRYXDPNHBGUSMKL-UHFFFAOYSA-N
MW283.42 g/mol
LogP1.32
Rot. Bonds5

About 1-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-3-(1-hydroxypropan-2-yl)urea

1-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-3-(1-hydroxypropan-2-yl)urea (PubChem CID 110028426) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-3-(1-hydroxypropan-2-yl)urea.

Molecular Properties

Compound Name1-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-3-(1-hydroxypropan-2-yl)urea
PubChem CID110028426
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name1-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-3-(1-hydroxypropan-2-yl)urea
SMILESCC(CO)NC(=O)NC(C)C1CCCN(C2CCC2)C1
InChIInChI=1S/C15H29N3O2/c1-11(10-19)16-15(20)17-12(2)13-5-4-8-18(9-13)14-6-3-7-14/h11-14,19H,3-10H2,1-2H3,(H2,16,17,20)
InChIKeyRYXDPNHBGUSMKL-UHFFFAOYSA-N
XLogP1.32
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-3-(1-hydroxypentan-3-yl)urea
CID 110028309
1-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-3-(5-hydroxy-4,4-dimethylpentyl)urea
CID 110028311
3-[(1S)-1-[(3R)-1-cyclobutylpiperidin-3-yl]ethyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea
CID 97348085
1-(1-hydroxypropan-2-yl)-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea
CID 111508639
1-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
CID 84599314
N-[1-(1-cyclohexylpiperidin-3-yl)ethyl]propan-1-amine
CID 63854641
3-(3-but-3-ynyldiazirin-3-yl)-N-[1-(1-cyclobutylpiperidin-3-yl)ethyl]propanamide
CID 154775986
1-cyclopropyl-3-[(2R)-1-hydroxypropan-2-yl]urea
CID 62950697
(2S)-2-(1-cyclobutylethylcarbamoylamino)-3-hydroxypropanoic acid
CID 104871385
1-[(2S)-1-hydroxypropan-2-yl]-3-propan-2-ylurea
CID 79023677
1-(1-cyclohexylpiperidin-3-yl)-3-(4-hydroxy-2-methylbutyl)urea
CID 111506189
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(1R)-1-[(3R)-1-cyclobutylpiperidin-3-yl]ethyl]butanamide
CID 97262392

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-3-(1-hydroxypropan-2-yl)urea?
The IUPAC name of 1-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-3-(1-hydroxypropan-2-yl)urea (CID 110028426) is 1-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-3-(1-hydroxypropan-2-yl)urea.
What is the SMILES notation for 1-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-3-(1-hydroxypropan-2-yl)urea?
The canonical SMILES for 1-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-3-(1-hydroxypropan-2-yl)urea is CC(CO)NC(=O)NC(C)C1CCCN(C2CCC2)C1.
What is the InChIKey of 1-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-3-(1-hydroxypropan-2-yl)urea?
The InChIKey is RYXDPNHBGUSMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-11(10-19)16-15(20)17-12(2)13-5-4-8-18(9-13)14-6-3-7-14/h11-14,19H,3-10H2,1-2H3,(H2,16,17,20).
What are the key properties of 1-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-3-(1-hydroxypropan-2-yl)urea?
1-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-3-(1-hydroxypropan-2-yl)urea has a molecular weight of 283.42 g/mol, XLogP of 1.32, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-3-(1-hydroxypropan-2-yl)urea is sourced from PubChem (CID 110028426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).