1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-3-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)urea

C19H33N3O2 — CID 102557696

IUPAC1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-3-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)urea
SMILESC[C@H](NC(=O)NC1CC2CCC1(C)C2(C)C)C(=O)N1CCCCC1
InChIInChI=1S/C19H33N3O2/c1-13(16(23)22-10-6-5-7-11-22)20-17(24)21-15-12-14-8-9-19(15,4)18(14,2)3/h13-15H,5-12H2,1-4H3,(H2,20,21,24)/t13-,14?,15?,19?/m0/s1
InChIKeyUPMNGACTLUWKPQ-UCBUFWRCSA-N
MW335.49 g/mol
LogP2.90
Rot. Bonds3

About 1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-3-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)urea

1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-3-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)urea (PubChem CID 102557696) has the molecular formula C19H33N3O2 and a molecular weight of 335.49 g/mol. Its IUPAC name is 1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-3-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)urea.

Molecular Properties

Compound Name1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-3-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)urea
PubChem CID102557696
Molecular FormulaC19H33N3O2
Molecular Weight335.49 g/mol
Exact Mass335.26
IUPAC Name1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-3-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)urea
SMILESC[C@H](NC(=O)NC1CC2CCC1(C)C2(C)C)C(=O)N1CCCCC1
InChIInChI=1S/C19H33N3O2/c1-13(16(23)22-10-6-5-7-11-22)20-17(24)21-15-12-14-8-9-19(15,4)18(14,2)3/h13-15H,5-12H2,1-4H3,(H2,20,21,24)/t13-,14?,15?,19?/m0/s1
InChIKeyUPMNGACTLUWKPQ-UCBUFWRCSA-N
XLogP2.90
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-3-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)urea?
The IUPAC name of 1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-3-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)urea (CID 102557696) is 1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-3-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)urea.
What is the SMILES notation for 1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-3-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)urea?
The canonical SMILES for 1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-3-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)urea is C[C@H](NC(=O)NC1CC2CCC1(C)C2(C)C)C(=O)N1CCCCC1.
What is the InChIKey of 1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-3-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)urea?
The InChIKey is UPMNGACTLUWKPQ-UCBUFWRCSA-N. The full InChI is InChI=1S/C19H33N3O2/c1-13(16(23)22-10-6-5-7-11-22)20-17(24)21-15-12-14-8-9-19(15,4)18(14,2)3/h13-15H,5-12H2,1-4H3,(H2,20,21,24)/t13-,14?,15?,19?/m0/s1.
What are the key properties of 1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-3-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)urea?
1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-3-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)urea has a molecular weight of 335.49 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-3-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)urea is sourced from PubChem (CID 102557696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).