N-butan-2-yl-2-[1-(2-cyclopropyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]acetamide

C22H29N3O3 — CID 53103445

IUPACN-butan-2-yl-2-[1-(2-cyclopropyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]acetamide
SMILESCCC(C)NC(=O)CC1CCN(C(=O)c2ccc3oc(C4CC4)nc3c2)CC1
InChIInChI=1S/C22H29N3O3/c1-3-14(2)23-20(26)12-15-8-10-25(11-9-15)22(27)17-6-7-19-18(13-17)24-21(28-19)16-4-5-16/h6-7,13-16H,3-5,8-12H2,1-2H3,(H,23,26)
InChIKeyGYRVQTOAHQNVEQ-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.86
Rot. Bonds6

About N-butan-2-yl-2-[1-(2-cyclopropyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]acetamide

N-butan-2-yl-2-[1-(2-cyclopropyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]acetamide (PubChem CID 53103445) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is N-butan-2-yl-2-[1-(2-cyclopropyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[1-(2-cyclopropyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]acetamide
PubChem CID53103445
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC NameN-butan-2-yl-2-[1-(2-cyclopropyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]acetamide
SMILESCCC(C)NC(=O)CC1CCN(C(=O)c2ccc3oc(C4CC4)nc3c2)CC1
InChIInChI=1S/C22H29N3O3/c1-3-14(2)23-20(26)12-15-8-10-25(11-9-15)22(27)17-6-7-19-18(13-17)24-21(28-19)16-4-5-16/h6-7,13-16H,3-5,8-12H2,1-2H3,(H,23,26)
InChIKeyGYRVQTOAHQNVEQ-UHFFFAOYSA-N
XLogP3.86
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-2-[1-(2-cyclopropyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]acetamide
CID 53103472
2-[1-(2-cyclopropyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]acetic acid
CID 176515559
N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-cyclopropyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]acetamide
CID 53103476
N-(3-methylbutyl)-2-[1-[2-(4-methylphenyl)-1,3-benzoxazole-5-carbonyl]piperidin-4-yl]acetamide
CID 53103540
1-(2-cyclopropyl-1,3-benzoxazol-5-yl)propan-1-one
CID 82284648
1-(2-cyclopropyl-1,3-benzoxazol-5-yl)butan-1-one
CID 82288409
1-(2-cyclopropyl-1,3-benzoxazol-5-yl)ethanone;ethane
CID 178176303
N-[1-(furan-2-yl)propan-2-yl]-2-[1-(2-phenyl-1,3-benzoxazole-6-carbonyl)piperidin-4-yl]acetamide
CID 46378843
N-cycloheptyl-2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]acetamide
CID 53103368
N-[(5-methylfuran-2-yl)methyl]-2-[1-[2-(4-methylphenyl)-1,3-benzoxazole-5-carbonyl]piperidin-4-yl]acetamide
CID 53103553
2-[1-[2-(4-methylphenyl)-1,3-benzoxazole-5-carbonyl]piperidin-4-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 53103561
1-(2-cyclohexyl-1,3-benzoxazol-5-yl)propan-1-one
CID 82299964

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[1-(2-cyclopropyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]acetamide?
The IUPAC name of N-butan-2-yl-2-[1-(2-cyclopropyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]acetamide (CID 53103445) is N-butan-2-yl-2-[1-(2-cyclopropyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[1-(2-cyclopropyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-butan-2-yl-2-[1-(2-cyclopropyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]acetamide is CCC(C)NC(=O)CC1CCN(C(=O)c2ccc3oc(C4CC4)nc3c2)CC1.
What is the InChIKey of N-butan-2-yl-2-[1-(2-cyclopropyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]acetamide?
The InChIKey is GYRVQTOAHQNVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-3-14(2)23-20(26)12-15-8-10-25(11-9-15)22(27)17-6-7-19-18(13-17)24-21(28-19)16-4-5-16/h6-7,13-16H,3-5,8-12H2,1-2H3,(H,23,26).
What are the key properties of N-butan-2-yl-2-[1-(2-cyclopropyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]acetamide?
N-butan-2-yl-2-[1-(2-cyclopropyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]acetamide has a molecular weight of 383.49 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[1-(2-cyclopropyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 53103445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).