oxalic acid;2-phenyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone

C19H26N2O5 — CID 2912760

IUPACoxalic acid;2-phenyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone
SMILESO=C(Cc1ccccc1)N1CCC(N2CCCC2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C17H24N2O.C2H2O4/c20-17(14-15-6-2-1-3-7-15)19-12-8-16(9-13-19)18-10-4-5-11-18;3-1(4)2(5)6/h1-3,6-7,16H,4-5,8-14H2;(H,3,4)(H,5,6)
InChIKeySWUSTFGKDZGZQC-UHFFFAOYSA-N
MW362.43 g/mol
LogP1.47
Rot. Bonds3

About oxalic acid;2-phenyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone

oxalic acid;2-phenyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone (PubChem CID 2912760) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is oxalic acid;2-phenyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Nameoxalic acid;2-phenyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone
PubChem CID2912760
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC Nameoxalic acid;2-phenyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone
SMILESO=C(Cc1ccccc1)N1CCC(N2CCCC2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C17H24N2O.C2H2O4/c20-17(14-15-6-2-1-3-7-15)19-12-8-16(9-13-19)18-10-4-5-11-18;3-1(4)2(5)6/h1-3,6-7,16H,4-5,8-14H2;(H,3,4)(H,5,6)
InChIKeySWUSTFGKDZGZQC-UHFFFAOYSA-N
XLogP1.47
TPSA98.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-[4-(azepan-1-yl)piperidin-1-yl]-2-phenylethanone
CID 1121449
2-(4-aminophenyl)-1-(4-pyrrolidin-1-ylazepan-1-yl)ethanone
CID 119891341
2-(4-aminophenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 119842927
2-(4-fluorophenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 110868488
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-phenylethanone
CID 113005998
1-[4-(3-methylcyclohexyl)piperazin-1-yl]-2-phenylethanone;oxalic acid
CID 17366301
1-(azetidin-1-yl)-2-phenylethanone
CID 18670940
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-phenylethanone
CID 110364750
N-benzyl-4-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 71192982
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-phenylethanone
CID 875936
benzyl (4R)-4-pyrrolidin-1-ylazepane-1-carboxylate
CID 71192780
2-[4-(aminomethyl)phenyl]-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone
CID 63591390

Frequently Asked Questions

What is the IUPAC name of oxalic acid;2-phenyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone?
The IUPAC name of oxalic acid;2-phenyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone (CID 2912760) is oxalic acid;2-phenyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for oxalic acid;2-phenyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone?
The canonical SMILES for oxalic acid;2-phenyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone is O=C(Cc1ccccc1)N1CCC(N2CCCC2)CC1.O=C(O)C(=O)O.
What is the InChIKey of oxalic acid;2-phenyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone?
The InChIKey is SWUSTFGKDZGZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O.C2H2O4/c20-17(14-15-6-2-1-3-7-15)19-12-8-16(9-13-19)18-10-4-5-11-18;3-1(4)2(5)6/h1-3,6-7,16H,4-5,8-14H2;(H,3,4)(H,5,6).
What are the key properties of oxalic acid;2-phenyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone?
oxalic acid;2-phenyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone has a molecular weight of 362.43 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;2-phenyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 2912760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).