2-[1-[2-[3-(3-tert-butylimidazol-4-yl)piperidin-1-yl]-2-oxoethyl]cyclopropyl]acetic acid

C19H29N3O3 — CID 166275479

IUPAC2-[1-[2-[3-(3-tert-butylimidazol-4-yl)piperidin-1-yl]-2-oxoethyl]cyclopropyl]acetic acid
SMILESCC(C)(C)n1cncc1C1CCCN(C(=O)CC2(CC(=O)O)CC2)C1
InChIInChI=1S/C19H29N3O3/c1-18(2,3)22-13-20-11-15(22)14-5-4-8-21(12-14)16(23)9-19(6-7-19)10-17(24)25/h11,13-14H,4-10,12H2,1-3H3,(H,24,25)
InChIKeyGCWGWPHLRZSCED-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.99
Rot. Bonds5

About 2-[1-[2-[3-(3-tert-butylimidazol-4-yl)piperidin-1-yl]-2-oxoethyl]cyclopropyl]acetic acid

2-[1-[2-[3-(3-tert-butylimidazol-4-yl)piperidin-1-yl]-2-oxoethyl]cyclopropyl]acetic acid (PubChem CID 166275479) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-[1-[2-[3-(3-tert-butylimidazol-4-yl)piperidin-1-yl]-2-oxoethyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[3-(3-tert-butylimidazol-4-yl)piperidin-1-yl]-2-oxoethyl]cyclopropyl]acetic acid
PubChem CID166275479
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name2-[1-[2-[3-(3-tert-butylimidazol-4-yl)piperidin-1-yl]-2-oxoethyl]cyclopropyl]acetic acid
SMILESCC(C)(C)n1cncc1C1CCCN(C(=O)CC2(CC(=O)O)CC2)C1
InChIInChI=1S/C19H29N3O3/c1-18(2,3)22-13-20-11-15(22)14-5-4-8-21(12-14)16(23)9-19(6-7-19)10-17(24)25/h11,13-14H,4-10,12H2,1-3H3,(H,24,25)
InChIKeyGCWGWPHLRZSCED-UHFFFAOYSA-N
XLogP2.99
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[3-(3-tert-butylimidazol-4-yl)piperidin-1-yl]-2-oxoethyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[2-[3-(3-tert-butylimidazol-4-yl)piperidin-1-yl]-2-oxoethyl]cyclopropyl]acetic acid (CID 166275479) is 2-[1-[2-[3-(3-tert-butylimidazol-4-yl)piperidin-1-yl]-2-oxoethyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[2-[3-(3-tert-butylimidazol-4-yl)piperidin-1-yl]-2-oxoethyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[2-[3-(3-tert-butylimidazol-4-yl)piperidin-1-yl]-2-oxoethyl]cyclopropyl]acetic acid is CC(C)(C)n1cncc1C1CCCN(C(=O)CC2(CC(=O)O)CC2)C1.
What is the InChIKey of 2-[1-[2-[3-(3-tert-butylimidazol-4-yl)piperidin-1-yl]-2-oxoethyl]cyclopropyl]acetic acid?
The InChIKey is GCWGWPHLRZSCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-18(2,3)22-13-20-11-15(22)14-5-4-8-21(12-14)16(23)9-19(6-7-19)10-17(24)25/h11,13-14H,4-10,12H2,1-3H3,(H,24,25).
What are the key properties of 2-[1-[2-[3-(3-tert-butylimidazol-4-yl)piperidin-1-yl]-2-oxoethyl]cyclopropyl]acetic acid?
2-[1-[2-[3-(3-tert-butylimidazol-4-yl)piperidin-1-yl]-2-oxoethyl]cyclopropyl]acetic acid has a molecular weight of 347.46 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[3-(3-tert-butylimidazol-4-yl)piperidin-1-yl]-2-oxoethyl]cyclopropyl]acetic acid is sourced from PubChem (CID 166275479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).