(2R)-2-[4-(furan-3-carbonyl)piperazin-1-yl]-2-phenylacetamide

C17H19N3O3 — CID 34955258

IUPAC(2R)-2-[4-(furan-3-carbonyl)piperazin-1-yl]-2-phenylacetamide
SMILESNC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C17H19N3O3/c18-16(21)15(13-4-2-1-3-5-13)19-7-9-20(10-8-19)17(22)14-6-11-23-12-14/h1-6,11-12,15H,7-10H2,(H2,18,21)/t15-/m1/s1
InChIKeyNRIQQIVOOBXSLY-OAHLLOKOSA-N
MW313.36 g/mol
LogP1.26
Rot. Bonds4

About (2R)-2-[4-(furan-3-carbonyl)piperazin-1-yl]-2-phenylacetamide

(2R)-2-[4-(furan-3-carbonyl)piperazin-1-yl]-2-phenylacetamide (PubChem CID 34955258) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is (2R)-2-[4-(furan-3-carbonyl)piperazin-1-yl]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-[4-(furan-3-carbonyl)piperazin-1-yl]-2-phenylacetamide
PubChem CID34955258
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name(2R)-2-[4-(furan-3-carbonyl)piperazin-1-yl]-2-phenylacetamide
SMILESNC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C17H19N3O3/c18-16(21)15(13-4-2-1-3-5-13)19-7-9-20(10-8-19)17(22)14-6-11-23-12-14/h1-6,11-12,15H,7-10H2,(H2,18,21)/t15-/m1/s1
InChIKeyNRIQQIVOOBXSLY-OAHLLOKOSA-N
XLogP1.26
TPSA79.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-benzoylpiperazin-1-yl)-2-(4-fluorophenyl)acetamide
CID 69403152
(2R)-2-(4-acetylpiperazin-1-yl)-2-phenylacetamide
CID 51908871
2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-2-phenylacetamide
CID 51307935
2-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-phenylacetamide
CID 51297445
N-[1-[(1S)-2-amino-2-oxo-1-phenylethyl]piperidin-4-yl]furan-3-carboxamide
CID 95584264
(2S)-2-(4-benzoyl-1,4-diazepan-1-yl)-2-(4-fluorophenyl)acetamide
CID 30807703
2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-2-phenylacetamide
CID 46568132
2-(azocan-1-yl)-2-phenylacetamide
CID 42889497
furan-3-yl-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone
CID 60548232
[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(furan-3-yl)methanone
CID 46579668
2-phenyl-2-piperidin-1-ylacetamide;hydrochloride
CID 138401908
(2S)-2-(4-benzoylpiperazin-1-yl)-2-phenyl-1-piperidin-1-ylethanone
CID 8597142

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(furan-3-carbonyl)piperazin-1-yl]-2-phenylacetamide?
The IUPAC name of (2R)-2-[4-(furan-3-carbonyl)piperazin-1-yl]-2-phenylacetamide (CID 34955258) is (2R)-2-[4-(furan-3-carbonyl)piperazin-1-yl]-2-phenylacetamide.
What is the SMILES notation for (2R)-2-[4-(furan-3-carbonyl)piperazin-1-yl]-2-phenylacetamide?
The canonical SMILES for (2R)-2-[4-(furan-3-carbonyl)piperazin-1-yl]-2-phenylacetamide is NC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)c2ccoc2)CC1.
What is the InChIKey of (2R)-2-[4-(furan-3-carbonyl)piperazin-1-yl]-2-phenylacetamide?
The InChIKey is NRIQQIVOOBXSLY-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H19N3O3/c18-16(21)15(13-4-2-1-3-5-13)19-7-9-20(10-8-19)17(22)14-6-11-23-12-14/h1-6,11-12,15H,7-10H2,(H2,18,21)/t15-/m1/s1.
What are the key properties of (2R)-2-[4-(furan-3-carbonyl)piperazin-1-yl]-2-phenylacetamide?
(2R)-2-[4-(furan-3-carbonyl)piperazin-1-yl]-2-phenylacetamide has a molecular weight of 313.36 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(furan-3-carbonyl)piperazin-1-yl]-2-phenylacetamide is sourced from PubChem (CID 34955258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).