[(2S)-1-[(2S)-3,3-dimethyl-2-prop-2-enylpiperidin-1-yl]-1-oxopropan-2-yl]urea

C14H25N3O2 — CID 125139241

IUPAC[(2S)-1-[(2S)-3,3-dimethyl-2-prop-2-enylpiperidin-1-yl]-1-oxopropan-2-yl]urea
SMILESC=CC[C@@H]1N(C(=O)[C@H](C)NC(N)=O)CCCC1(C)C
InChIInChI=1S/C14H25N3O2/c1-5-7-11-14(3,4)8-6-9-17(11)12(18)10(2)16-13(15)19/h5,10-11H,1,6-9H2,2-4H3,(H3,15,16,19)/t10-,11-/m0/s1
InChIKeySDJAALPRFUPLHR-QWRGUYRKSA-N
MW267.37 g/mol
LogP1.64
Rot. Bonds4

About [(2S)-1-[(2S)-3,3-dimethyl-2-prop-2-enylpiperidin-1-yl]-1-oxopropan-2-yl]urea

[(2S)-1-[(2S)-3,3-dimethyl-2-prop-2-enylpiperidin-1-yl]-1-oxopropan-2-yl]urea (PubChem CID 125139241) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is [(2S)-1-[(2S)-3,3-dimethyl-2-prop-2-enylpiperidin-1-yl]-1-oxopropan-2-yl]urea.

Molecular Properties

Compound Name[(2S)-1-[(2S)-3,3-dimethyl-2-prop-2-enylpiperidin-1-yl]-1-oxopropan-2-yl]urea
PubChem CID125139241
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name[(2S)-1-[(2S)-3,3-dimethyl-2-prop-2-enylpiperidin-1-yl]-1-oxopropan-2-yl]urea
SMILESC=CC[C@@H]1N(C(=O)[C@H](C)NC(N)=O)CCCC1(C)C
InChIInChI=1S/C14H25N3O2/c1-5-7-11-14(3,4)8-6-9-17(11)12(18)10(2)16-13(15)19/h5,10-11H,1,6-9H2,2-4H3,(H3,15,16,19)/t10-,11-/m0/s1
InChIKeySDJAALPRFUPLHR-QWRGUYRKSA-N
XLogP1.64
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[(2S)-3,3-dimethyl-2-prop-2-enylpiperidin-1-yl]-1-oxopropan-2-yl]urea?
The IUPAC name of [(2S)-1-[(2S)-3,3-dimethyl-2-prop-2-enylpiperidin-1-yl]-1-oxopropan-2-yl]urea (CID 125139241) is [(2S)-1-[(2S)-3,3-dimethyl-2-prop-2-enylpiperidin-1-yl]-1-oxopropan-2-yl]urea.
What is the SMILES notation for [(2S)-1-[(2S)-3,3-dimethyl-2-prop-2-enylpiperidin-1-yl]-1-oxopropan-2-yl]urea?
The canonical SMILES for [(2S)-1-[(2S)-3,3-dimethyl-2-prop-2-enylpiperidin-1-yl]-1-oxopropan-2-yl]urea is C=CC[C@@H]1N(C(=O)[C@H](C)NC(N)=O)CCCC1(C)C.
What is the InChIKey of [(2S)-1-[(2S)-3,3-dimethyl-2-prop-2-enylpiperidin-1-yl]-1-oxopropan-2-yl]urea?
The InChIKey is SDJAALPRFUPLHR-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-5-7-11-14(3,4)8-6-9-17(11)12(18)10(2)16-13(15)19/h5,10-11H,1,6-9H2,2-4H3,(H3,15,16,19)/t10-,11-/m0/s1.
What are the key properties of [(2S)-1-[(2S)-3,3-dimethyl-2-prop-2-enylpiperidin-1-yl]-1-oxopropan-2-yl]urea?
[(2S)-1-[(2S)-3,3-dimethyl-2-prop-2-enylpiperidin-1-yl]-1-oxopropan-2-yl]urea has a molecular weight of 267.37 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[(2S)-3,3-dimethyl-2-prop-2-enylpiperidin-1-yl]-1-oxopropan-2-yl]urea is sourced from PubChem (CID 125139241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).