(3R)-1-acetyl-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)piperidine-3-carboxamide

C18H21N3O3 — CID 94146559

IUPAC(3R)-1-acetyl-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)piperidine-3-carboxamide
SMILESCC(=O)N1CCC[C@@H](C(=O)Nc2ccc3oc(C4CC4)nc3c2)C1
InChIInChI=1S/C18H21N3O3/c1-11(22)21-8-2-3-13(10-21)17(23)19-14-6-7-16-15(9-14)20-18(24-16)12-4-5-12/h6-7,9,12-13H,2-5,8,10H2,1H3,(H,19,23)/t13-/m1/s1
InChIKeyUTFYTWYHJBOJEM-CYBMUJFWSA-N
MW327.38 g/mol
LogP2.90
Rot. Bonds3

About (3R)-1-acetyl-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)piperidine-3-carboxamide

(3R)-1-acetyl-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)piperidine-3-carboxamide (PubChem CID 94146559) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is (3R)-1-acetyl-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-acetyl-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)piperidine-3-carboxamide
PubChem CID94146559
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name(3R)-1-acetyl-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)piperidine-3-carboxamide
SMILESCC(=O)N1CCC[C@@H](C(=O)Nc2ccc3oc(C4CC4)nc3c2)C1
InChIInChI=1S/C18H21N3O3/c1-11(22)21-8-2-3-13(10-21)17(23)19-14-6-7-16-15(9-14)20-18(24-16)12-4-5-12/h6-7,9,12-13H,2-5,8,10H2,1H3,(H,19,23)/t13-/m1/s1
InChIKeyUTFYTWYHJBOJEM-CYBMUJFWSA-N
XLogP2.90
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-1-acetyl-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)piperidine-3-carboxamide with MolForge

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Related Compounds

1-(2-methylpropanoyl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)piperidine-3-carboxamide
CID 47055287
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)piperidine-4-carboxamide;hydrochloride
CID 119290775
(4R)-3-acetyl-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1,3-thiazolidine-4-carboxamide
CID 94783798
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 119726041
1-cyclooctyl-3-(2-cyclopropyl-1,3-benzoxazol-5-yl)urea
CID 71895854
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1-prop-2-enoylpyrrolidine-2-carboxamide
CID 166410997
(3S)-1-acetyl-N-(3-chloro-4-methylphenyl)piperidine-3-carboxamide
CID 9068498
1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(1-methylpyrazol-4-yl)urea
CID 71940384
(3S)-1-acetyl-N-(3-methylphenyl)piperidine-3-carboxamide
CID 9039260
5-amino-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-methylpentanamide
CID 104683893
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 71941676
1-acetyl-N-(4-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide
CID 110686168

Frequently Asked Questions

What is the IUPAC name of (3R)-1-acetyl-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-acetyl-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)piperidine-3-carboxamide (CID 94146559) is (3R)-1-acetyl-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-acetyl-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-acetyl-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)piperidine-3-carboxamide is CC(=O)N1CCC[C@@H](C(=O)Nc2ccc3oc(C4CC4)nc3c2)C1.
What is the InChIKey of (3R)-1-acetyl-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)piperidine-3-carboxamide?
The InChIKey is UTFYTWYHJBOJEM-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-11(22)21-8-2-3-13(10-21)17(23)19-14-6-7-16-15(9-14)20-18(24-16)12-4-5-12/h6-7,9,12-13H,2-5,8,10H2,1H3,(H,19,23)/t13-/m1/s1.
What are the key properties of (3R)-1-acetyl-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)piperidine-3-carboxamide?
(3R)-1-acetyl-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)piperidine-3-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-acetyl-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)piperidine-3-carboxamide is sourced from PubChem (CID 94146559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).