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

C22H29N3O3 — CID 53103472

IUPACN-butyl-2-[1-(2-cyclopropyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]acetamide
SMILESCCCCNC(=O)CC1CCN(C(=O)c2ccc3oc(C4CC4)nc3c2)CC1
InChIInChI=1S/C22H29N3O3/c1-2-3-10-23-20(26)13-15-8-11-25(12-9-15)22(27)17-6-7-19-18(14-17)24-21(28-19)16-4-5-16/h6-7,14-16H,2-5,8-13H2,1H3,(H,23,26)
InChIKeyAUVHSTQLMMNOPZ-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.86
Rot. Bonds7

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

N-butyl-2-[1-(2-cyclopropyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]acetamide (PubChem CID 53103472) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is N-butyl-2-[1-(2-cyclopropyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-butyl-2-[1-(2-cyclopropyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]acetamide
PubChem CID53103472
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC NameN-butyl-2-[1-(2-cyclopropyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]acetamide
SMILESCCCCNC(=O)CC1CCN(C(=O)c2ccc3oc(C4CC4)nc3c2)CC1
InChIInChI=1S/C22H29N3O3/c1-2-3-10-23-20(26)13-15-8-11-25(12-9-15)22(27)17-6-7-19-18(14-17)24-21(28-19)16-4-5-16/h6-7,14-16H,2-5,8-13H2,1H3,(H,23,26)
InChIKeyAUVHSTQLMMNOPZ-UHFFFAOYSA-N
XLogP3.86
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butan-2-yl-2-[1-(2-cyclopropyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]acetamide
CID 53103445
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
2-[1-[2-(4-methylphenyl)-1,3-benzoxazole-5-carbonyl]piperidin-4-yl]-N-(3-phenylpropyl)acetamide
CID 53103530
N-(3-methylbutyl)-2-[1-[2-(4-methylphenyl)-1,3-benzoxazole-5-carbonyl]piperidin-4-yl]acetamide
CID 53103540
N-(3-morpholin-4-ylpropyl)-2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]acetamide
CID 53103378
N-(2-morpholin-4-ylethyl)-2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]acetamide
CID 53103391
1-(2-cyclopropyl-1,3-benzoxazol-5-yl)butan-1-one
CID 82288409
1-(2-cyclopropyl-1,3-benzoxazol-5-yl)propan-1-one
CID 82284648
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
N-(furan-2-ylmethyl)-2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]acetamide
CID 53103370

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[1-(2-cyclopropyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]acetamide?
The IUPAC name of N-butyl-2-[1-(2-cyclopropyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]acetamide (CID 53103472) is N-butyl-2-[1-(2-cyclopropyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-butyl-2-[1-(2-cyclopropyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-butyl-2-[1-(2-cyclopropyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]acetamide is CCCCNC(=O)CC1CCN(C(=O)c2ccc3oc(C4CC4)nc3c2)CC1.
What is the InChIKey of N-butyl-2-[1-(2-cyclopropyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]acetamide?
The InChIKey is AUVHSTQLMMNOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-2-3-10-23-20(26)13-15-8-11-25(12-9-15)22(27)17-6-7-19-18(14-17)24-21(28-19)16-4-5-16/h6-7,14-16H,2-5,8-13H2,1H3,(H,23,26).
What are the key properties of N-butyl-2-[1-(2-cyclopropyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]acetamide?
N-butyl-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, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[1-(2-cyclopropyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 53103472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).