(1-methylcyclopropyl) 4-[cyclopropyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]piperidine-1-carboxylate

C23H27N3O4 — CID 73387916

IUPAC(1-methylcyclopropyl) 4-[cyclopropyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]piperidine-1-carboxylate
SMILESCC1(OC(=O)N2CCC(N(C(=O)c3ccc(-c4cnco4)cc3)C3CC3)CC2)CC1
InChIInChI=1S/C23H27N3O4/c1-23(10-11-23)30-22(28)25-12-8-19(9-13-25)26(18-6-7-18)21(27)17-4-2-16(3-5-17)20-14-24-15-29-20/h2-5,14-15,18-19H,6-13H2,1H3
InChIKeyRUKMTRNCJAWVKD-UHFFFAOYSA-N
MW409.49 g/mol
LogP4.10
Rot. Bonds5

About (1-methylcyclopropyl) 4-[cyclopropyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]piperidine-1-carboxylate

(1-methylcyclopropyl) 4-[cyclopropyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]piperidine-1-carboxylate (PubChem CID 73387916) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is (1-methylcyclopropyl) 4-[cyclopropyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Name(1-methylcyclopropyl) 4-[cyclopropyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]piperidine-1-carboxylate
PubChem CID73387916
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC Name(1-methylcyclopropyl) 4-[cyclopropyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]piperidine-1-carboxylate
SMILESCC1(OC(=O)N2CCC(N(C(=O)c3ccc(-c4cnco4)cc3)C3CC3)CC2)CC1
InChIInChI=1S/C23H27N3O4/c1-23(10-11-23)30-22(28)25-12-8-19(9-13-25)26(18-6-7-18)21(27)17-4-2-16(3-5-17)20-14-24-15-29-20/h2-5,14-15,18-19H,6-13H2,1H3
InChIKeyRUKMTRNCJAWVKD-UHFFFAOYSA-N
XLogP4.10
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-methylcyclopropyl) 4-[cyclopropyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]piperidine-1-carboxylate?
The IUPAC name of (1-methylcyclopropyl) 4-[cyclopropyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]piperidine-1-carboxylate (CID 73387916) is (1-methylcyclopropyl) 4-[cyclopropyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for (1-methylcyclopropyl) 4-[cyclopropyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]piperidine-1-carboxylate?
The canonical SMILES for (1-methylcyclopropyl) 4-[cyclopropyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]piperidine-1-carboxylate is CC1(OC(=O)N2CCC(N(C(=O)c3ccc(-c4cnco4)cc3)C3CC3)CC2)CC1.
What is the InChIKey of (1-methylcyclopropyl) 4-[cyclopropyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]piperidine-1-carboxylate?
The InChIKey is RUKMTRNCJAWVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-23(10-11-23)30-22(28)25-12-8-19(9-13-25)26(18-6-7-18)21(27)17-4-2-16(3-5-17)20-14-24-15-29-20/h2-5,14-15,18-19H,6-13H2,1H3.
What are the key properties of (1-methylcyclopropyl) 4-[cyclopropyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]piperidine-1-carboxylate?
(1-methylcyclopropyl) 4-[cyclopropyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]piperidine-1-carboxylate has a molecular weight of 409.49 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclopropyl) 4-[cyclopropyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 73387916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).