N-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]butanamide

C17H23N3O2 — CID 121109371

IUPACN-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]butanamide
SMILESCCCC(=O)NCC1CCN(c2nc3ccccc3o2)CC1
InChIInChI=1S/C17H23N3O2/c1-2-5-16(21)18-12-13-8-10-20(11-9-13)17-19-14-6-3-4-7-15(14)22-17/h3-4,6-7,13H,2,5,8-12H2,1H3,(H,18,21)
InChIKeySKYCWYTVFCTXPL-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.96
Rot. Bonds5

About N-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]butanamide

N-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]butanamide (PubChem CID 121109371) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]butanamide.

Molecular Properties

Compound NameN-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]butanamide
PubChem CID121109371
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]butanamide
SMILESCCCC(=O)NCC1CCN(c2nc3ccccc3o2)CC1
InChIInChI=1S/C17H23N3O2/c1-2-5-16(21)18-12-13-8-10-20(11-9-13)17-19-14-6-3-4-7-15(14)22-17/h3-4,6-7,13H,2,5,8-12H2,1H3,(H,18,21)
InChIKeySKYCWYTVFCTXPL-UHFFFAOYSA-N
XLogP2.96
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-2-(4-methylphenoxy)acetamide
CID 121109431
1-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-3-propan-2-ylurea
CID 121109518
N-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-N'-(2-methylpropyl)oxamide
CID 121107967
N-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-2-chlorobenzamide
CID 121109413
N-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 131893638
N-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-2-(4-chlorophenoxy)acetamide
CID 121109465
1-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-3-benzylurea
CID 121109523
N-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-2,5-dimethylbenzamide
CID 121109401
1-(1,3-benzoxazol-2-yl)-N-butylpiperidine-4-carboxamide
CID 15993683
N-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-3,5-dichlorobenzamide
CID 121109471
1-(1,3-benzoxazol-2-yl)-N-[2-(ethylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 18145860
N-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-N'-[(4-chlorophenyl)methyl]oxamide
CID 121108011

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]butanamide?
The IUPAC name of N-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]butanamide (CID 121109371) is N-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]butanamide.
What is the SMILES notation for N-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]butanamide?
The canonical SMILES for N-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]butanamide is CCCC(=O)NCC1CCN(c2nc3ccccc3o2)CC1.
What is the InChIKey of N-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]butanamide?
The InChIKey is SKYCWYTVFCTXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-2-5-16(21)18-12-13-8-10-20(11-9-13)17-19-14-6-3-4-7-15(14)22-17/h3-4,6-7,13H,2,5,8-12H2,1H3,(H,18,21).
What are the key properties of N-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]butanamide?
N-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]butanamide has a molecular weight of 301.39 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]butanamide is sourced from PubChem (CID 121109371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).