N-[(3S)-1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidin-3-yl]butanamide

C18H23N3O3 — CID 52851447

IUPACN-[(3S)-1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidin-3-yl]butanamide
SMILESCCCC(=O)N[C@H]1CCCN(C(=O)Cc2noc3ccccc23)C1
InChIInChI=1S/C18H23N3O3/c1-2-6-17(22)19-13-7-5-10-21(12-13)18(23)11-15-14-8-3-4-9-16(14)24-20-15/h3-4,8-9,13H,2,5-7,10-12H2,1H3,(H,19,22)/t13-/m0/s1
InChIKeySSWWQWFWMXDKRW-ZDUSSCGKSA-N
MW329.40 g/mol
LogP2.28
Rot. Bonds5

About N-[(3S)-1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidin-3-yl]butanamide

N-[(3S)-1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidin-3-yl]butanamide (PubChem CID 52851447) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[(3S)-1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidin-3-yl]butanamide.

Molecular Properties

Compound NameN-[(3S)-1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidin-3-yl]butanamide
PubChem CID52851447
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-[(3S)-1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidin-3-yl]butanamide
SMILESCCCC(=O)N[C@H]1CCCN(C(=O)Cc2noc3ccccc23)C1
InChIInChI=1S/C18H23N3O3/c1-2-6-17(22)19-13-7-5-10-21(12-13)18(23)11-15-14-8-3-4-9-16(14)24-20-15/h3-4,8-9,13H,2,5-7,10-12H2,1H3,(H,19,22)/t13-/m0/s1
InChIKeySSWWQWFWMXDKRW-ZDUSSCGKSA-N
XLogP2.28
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,2-benzoxazol-3-yl)-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 62534270
N-[[(3S)-1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidin-3-yl]methyl]butanamide
CID 52861521
2-(1,2-benzoxazol-3-yl)-1-(3-bromopiperidin-1-yl)ethanone
CID 80659996
2-(1,2-benzoxazol-3-yl)-1-[(3S)-3-hydroxypiperidin-1-yl]ethanone
CID 107224813
2-(1,2-benzoxazol-3-yl)-1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 63264257
N-[1-[2-(4-aminophenyl)acetyl]piperidin-3-yl]butanamide
CID 119761681
2-(1,2-benzoxazol-3-yl)-1-(3-ethylsulfonylazetidin-1-yl)ethanone
CID 121164456
2-(1,2-benzoxazol-3-yl)-1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]ethanone
CID 79410823
2-(1,2-benzoxazol-3-yl)-1-(4-chloro-3-methylpiperidin-1-yl)ethanone
CID 114682976
2-[4-[2-(1,2-benzoxazol-3-yl)acetyl]piperazin-1-yl]-N-propylacetamide
CID 134029509
2-(1,2-benzoxazol-3-yl)-1-[(3S)-3-methylpiperazin-1-yl]ethanone
CID 81427087
ethyl 4-[2-(1,2-benzoxazol-3-yl)acetyl]piperazine-1-carboxylate
CID 5163496

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidin-3-yl]butanamide?
The IUPAC name of N-[(3S)-1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidin-3-yl]butanamide (CID 52851447) is N-[(3S)-1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidin-3-yl]butanamide.
What is the SMILES notation for N-[(3S)-1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidin-3-yl]butanamide?
The canonical SMILES for N-[(3S)-1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidin-3-yl]butanamide is CCCC(=O)N[C@H]1CCCN(C(=O)Cc2noc3ccccc23)C1.
What is the InChIKey of N-[(3S)-1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidin-3-yl]butanamide?
The InChIKey is SSWWQWFWMXDKRW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-2-6-17(22)19-13-7-5-10-21(12-13)18(23)11-15-14-8-3-4-9-16(14)24-20-15/h3-4,8-9,13H,2,5-7,10-12H2,1H3,(H,19,22)/t13-/m0/s1.
What are the key properties of N-[(3S)-1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidin-3-yl]butanamide?
N-[(3S)-1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidin-3-yl]butanamide has a molecular weight of 329.40 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidin-3-yl]butanamide is sourced from PubChem (CID 52851447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).