3-amino-N-[[1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidin-2-yl]methyl]propanamide

C18H24N4O3 — CID 120580063

IUPAC3-amino-N-[[1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidin-2-yl]methyl]propanamide
SMILESNCCC(=O)NCC1CCCCN1C(=O)Cc1noc2ccccc12
InChIInChI=1S/C18H24N4O3/c19-9-8-17(23)20-12-13-5-3-4-10-22(13)18(24)11-15-14-6-1-2-7-16(14)25-21-15/h1-2,6-7,13H,3-5,8-12,19H2,(H,20,23)
InChIKeyWFCUBYRRBCCILL-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.22
Rot. Bonds6

About 3-amino-N-[[1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidin-2-yl]methyl]propanamide

3-amino-N-[[1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidin-2-yl]methyl]propanamide (PubChem CID 120580063) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 3-amino-N-[[1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidin-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[[1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidin-2-yl]methyl]propanamide
PubChem CID120580063
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name3-amino-N-[[1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidin-2-yl]methyl]propanamide
SMILESNCCC(=O)NCC1CCCCN1C(=O)Cc1noc2ccccc12
InChIInChI=1S/C18H24N4O3/c19-9-8-17(23)20-12-13-5-3-4-10-22(13)18(24)11-15-14-6-1-2-7-16(14)25-21-15/h1-2,6-7,13H,3-5,8-12,19H2,(H,20,23)
InChIKeyWFCUBYRRBCCILL-UHFFFAOYSA-N
XLogP1.22
TPSA101.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(aminomethyl)piperidin-1-yl]-2-(1,2-benzoxazol-3-yl)ethanone;hydrochloride
CID 119469596
2-(1,2-benzoxazol-3-yl)-1-[2-(hydroxymethyl)piperidin-1-yl]ethanone
CID 43421293
2-(1,2-benzoxazol-3-yl)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 61410913
3-amino-N-[[1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]piperidin-2-yl]methyl]propanamide
CID 120579911
1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidine-2-carboxylic acid
CID 16789710
3-amino-N-[[1-[2-(4-chlorophenyl)acetyl]piperidin-2-yl]methyl]propanamide
CID 120578635
3-amino-N-[[1-[2-(5-bromothiophen-2-yl)acetyl]piperidin-2-yl]methyl]propanamide
CID 120579347
3-amino-N-[[1-[2-(4-bromophenyl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578254
3-amino-N-[[1-[2-(4-methylphenyl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579244
3-amino-N-[[1-[2-(2,5-difluorophenyl)acetyl]piperidin-2-yl]methyl]propanamide
CID 120578823
2-(1,2-benzoxazol-3-yl)-N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]acetamide
CID 95769578
3-amino-N-[[1-(4-oxo-4-phenylbutanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579480

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidin-2-yl]methyl]propanamide?
The IUPAC name of 3-amino-N-[[1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidin-2-yl]methyl]propanamide (CID 120580063) is 3-amino-N-[[1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidin-2-yl]methyl]propanamide.
What is the SMILES notation for 3-amino-N-[[1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidin-2-yl]methyl]propanamide?
The canonical SMILES for 3-amino-N-[[1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidin-2-yl]methyl]propanamide is NCCC(=O)NCC1CCCCN1C(=O)Cc1noc2ccccc12.
What is the InChIKey of 3-amino-N-[[1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidin-2-yl]methyl]propanamide?
The InChIKey is WFCUBYRRBCCILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c19-9-8-17(23)20-12-13-5-3-4-10-22(13)18(24)11-15-14-6-1-2-7-16(14)25-21-15/h1-2,6-7,13H,3-5,8-12,19H2,(H,20,23).
What are the key properties of 3-amino-N-[[1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidin-2-yl]methyl]propanamide?
3-amino-N-[[1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidin-2-yl]methyl]propanamide has a molecular weight of 344.42 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidin-2-yl]methyl]propanamide is sourced from PubChem (CID 120580063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).