N-(1-acetylpiperidin-4-yl)-2-[benzyl(oxolan-2-ylmethyl)amino]acetamide

C21H31N3O3 — CID 55995840

IUPACN-(1-acetylpiperidin-4-yl)-2-[benzyl(oxolan-2-ylmethyl)amino]acetamide
SMILESCC(=O)N1CCC(NC(=O)CN(Cc2ccccc2)CC2CCCO2)CC1
InChIInChI=1S/C21H31N3O3/c1-17(25)24-11-9-19(10-12-24)22-21(26)16-23(15-20-8-5-13-27-20)14-18-6-3-2-4-7-18/h2-4,6-7,19-20H,5,8-16H2,1H3,(H,22,26)
InChIKeyRCYNPVRFPFJBOD-UHFFFAOYSA-N
MW373.50 g/mol
LogP1.79
Rot. Bonds7

About N-(1-acetylpiperidin-4-yl)-2-[benzyl(oxolan-2-ylmethyl)amino]acetamide

N-(1-acetylpiperidin-4-yl)-2-[benzyl(oxolan-2-ylmethyl)amino]acetamide (PubChem CID 55995840) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-(1-acetylpiperidin-4-yl)-2-[benzyl(oxolan-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-(1-acetylpiperidin-4-yl)-2-[benzyl(oxolan-2-ylmethyl)amino]acetamide
PubChem CID55995840
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC NameN-(1-acetylpiperidin-4-yl)-2-[benzyl(oxolan-2-ylmethyl)amino]acetamide
SMILESCC(=O)N1CCC(NC(=O)CN(Cc2ccccc2)CC2CCCO2)CC1
InChIInChI=1S/C21H31N3O3/c1-17(25)24-11-9-19(10-12-24)22-21(26)16-23(15-20-8-5-13-27-20)14-18-6-3-2-4-7-18/h2-4,6-7,19-20H,5,8-16H2,1H3,(H,22,26)
InChIKeyRCYNPVRFPFJBOD-UHFFFAOYSA-N
XLogP1.79
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl(oxolan-2-ylmethyl)amino]-N-phenylacetamide
CID 60514317
2-[benzyl(methyl)amino]-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]acetamide
CID 124854189
3-[[2-[benzyl(oxolan-2-ylmethyl)amino]acetyl]amino]-N-cyclopropylbenzamide
CID 55994012
2-[benzyl(oxolan-2-ylmethyl)amino]-N-(2-fluorophenyl)acetamide
CID 78899950
2-[benzyl(oxolan-2-ylmethyl)amino]-N-(3-ethylphenyl)acetamide
CID 55840577
N-(cyclopentylcarbamoyl)-2-[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide
CID 49309235
methyl 2-[[2-[benzyl(oxolan-2-ylmethyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 60565348
2-[benzyl(oxolan-2-ylmethyl)amino]-N-phenyl-N-propan-2-ylacetamide
CID 60565130
2-[benzyl(oxolan-2-ylmethyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 55995832
N-(cyclopropylcarbamoyl)-2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 9055537
N-(cyclopentylcarbamoyl)-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 9055373
2-[benzyl(oxolan-2-ylmethyl)amino]-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone
CID 60565287

Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpiperidin-4-yl)-2-[benzyl(oxolan-2-ylmethyl)amino]acetamide?
The IUPAC name of N-(1-acetylpiperidin-4-yl)-2-[benzyl(oxolan-2-ylmethyl)amino]acetamide (CID 55995840) is N-(1-acetylpiperidin-4-yl)-2-[benzyl(oxolan-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-(1-acetylpiperidin-4-yl)-2-[benzyl(oxolan-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-(1-acetylpiperidin-4-yl)-2-[benzyl(oxolan-2-ylmethyl)amino]acetamide is CC(=O)N1CCC(NC(=O)CN(Cc2ccccc2)CC2CCCO2)CC1.
What is the InChIKey of N-(1-acetylpiperidin-4-yl)-2-[benzyl(oxolan-2-ylmethyl)amino]acetamide?
The InChIKey is RCYNPVRFPFJBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-17(25)24-11-9-19(10-12-24)22-21(26)16-23(15-20-8-5-13-27-20)14-18-6-3-2-4-7-18/h2-4,6-7,19-20H,5,8-16H2,1H3,(H,22,26).
What are the key properties of N-(1-acetylpiperidin-4-yl)-2-[benzyl(oxolan-2-ylmethyl)amino]acetamide?
N-(1-acetylpiperidin-4-yl)-2-[benzyl(oxolan-2-ylmethyl)amino]acetamide has a molecular weight of 373.50 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylpiperidin-4-yl)-2-[benzyl(oxolan-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 55995840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).