(2R)-2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one

C19H25N3O2 — CID 34336590

IUPAC(2R)-2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one
SMILESCC1CCN(C(=O)[C@@H](C)Nc2ccc3oc(C4CC4)nc3c2)CC1
InChIInChI=1S/C19H25N3O2/c1-12-7-9-22(10-8-12)19(23)13(2)20-15-5-6-17-16(11-15)21-18(24-17)14-3-4-14/h5-6,11-14,20H,3-4,7-10H2,1-2H3/t13-/m1/s1
InChIKeyRPZVLMLGCAUMJP-CYBMUJFWSA-N
MW327.43 g/mol
LogP3.76
Rot. Bonds4

About (2R)-2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one

(2R)-2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one (PubChem CID 34336590) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is (2R)-2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name(2R)-2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one
PubChem CID34336590
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name(2R)-2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one
SMILESCC1CCN(C(=O)[C@@H](C)Nc2ccc3oc(C4CC4)nc3c2)CC1
InChIInChI=1S/C19H25N3O2/c1-12-7-9-22(10-8-12)19(23)13(2)20-15-5-6-17-16(11-15)21-18(24-17)14-3-4-14/h5-6,11-14,20H,3-4,7-10H2,1-2H3/t13-/m1/s1
InChIKeyRPZVLMLGCAUMJP-CYBMUJFWSA-N
XLogP3.76
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one with MolForge

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Related Compounds

(2R)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 41042415
2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]butanoic acid
CID 115352566
2-anilino-1-(4-methylpiperidin-1-yl)propan-1-one
CID 82044614
3-amino-1-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-2-methylbutan-1-one
CID 120503150
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(methanesulfonamido)propanamide
CID 47924751
2-(4-methoxy-3-methylanilino)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 87033324
(2S)-2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]-2-phenylacetamide
CID 34336748
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-4-propan-2-ylsulfanylbenzamide
CID 55851729
2-cyclopropyl-N-[1-(oxolan-3-yl)ethyl]-1,3-benzoxazol-5-amine
CID 115918873
2-cyclopropyl-N-[1-(1H-pyrazol-5-yl)ethyl]-1,3-benzoxazol-5-amine
CID 60972062
(2S,3S)-2-amino-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-methylpentanamide
CID 61178533
(3S)-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-sulfamoylpyrrolidine-1-carboxamide
CID 96542793

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of (2R)-2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one (CID 34336590) is (2R)-2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for (2R)-2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for (2R)-2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one is CC1CCN(C(=O)[C@@H](C)Nc2ccc3oc(C4CC4)nc3c2)CC1.
What is the InChIKey of (2R)-2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one?
The InChIKey is RPZVLMLGCAUMJP-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-12-7-9-22(10-8-12)19(23)13(2)20-15-5-6-17-16(11-15)21-18(24-17)14-3-4-14/h5-6,11-14,20H,3-4,7-10H2,1-2H3/t13-/m1/s1.
What are the key properties of (2R)-2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one?
(2R)-2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one has a molecular weight of 327.43 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 34336590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).