[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;oxalic acid

C20H28N2O6 — CID 662630

IUPAC[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;oxalic acid
SMILESCOc1ccc(CN2CCCC(C(=O)N3CCCC3)C2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C18H26N2O2.C2H2O4/c1-22-17-8-6-15(7-9-17)13-19-10-4-5-16(14-19)18(21)20-11-2-3-12-20;3-1(4)2(5)6/h6-9,16H,2-5,10-14H2,1H3;(H,3,4)(H,5,6)
InChIKeyGQEFFONJDCMXRV-UHFFFAOYSA-N
MW392.45 g/mol
LogP1.69
Rot. Bonds4

About [1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;oxalic acid

[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;oxalic acid (PubChem CID 662630) has the molecular formula C20H28N2O6 and a molecular weight of 392.45 g/mol. Its IUPAC name is [1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;oxalic acid.

Molecular Properties

Compound Name[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;oxalic acid
PubChem CID662630
Molecular FormulaC20H28N2O6
Molecular Weight392.45 g/mol
Exact Mass392.19
IUPAC Name[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;oxalic acid
SMILESCOc1ccc(CN2CCCC(C(=O)N3CCCC3)C2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C18H26N2O2.C2H2O4/c1-22-17-8-6-15(7-9-17)13-19-10-4-5-16(14-19)18(21)20-11-2-3-12-20;3-1(4)2(5)6/h6-9,16H,2-5,10-14H2,1H3;(H,3,4)(H,5,6)
InChIKeyGQEFFONJDCMXRV-UHFFFAOYSA-N
XLogP1.69
TPSA107.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4,4-difluoropiperidin-1-yl)-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanone
CID 163357915
methyl 1-[(4-methoxyphenyl)methyl]piperidine-3-carboxylate;hydrochloride
CID 14181476
azepan-1-yl-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanone
CID 3796866
[(3R)-1-benzylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 756196
azepan-1-yl-[(3R)-1-benzylpiperidin-3-yl]methanone
CID 756185
[1-[(4-methylphenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 2930824
cyclohexyl-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110398878
[1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 3409928
[(3S)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 756481
[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride
CID 163326469
1-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]butan-1-one
CID 59730198
azepan-1-yl-[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-3-yl]methanone;oxalic acid
CID 2933537

Frequently Asked Questions

What is the IUPAC name of [1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;oxalic acid?
The IUPAC name of [1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;oxalic acid (CID 662630) is [1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;oxalic acid.
What is the SMILES notation for [1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;oxalic acid?
The canonical SMILES for [1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;oxalic acid is COc1ccc(CN2CCCC(C(=O)N3CCCC3)C2)cc1.O=C(O)C(=O)O.
What is the InChIKey of [1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;oxalic acid?
The InChIKey is GQEFFONJDCMXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2.C2H2O4/c1-22-17-8-6-15(7-9-17)13-19-10-4-5-16(14-19)18(21)20-11-2-3-12-20;3-1(4)2(5)6/h6-9,16H,2-5,10-14H2,1H3;(H,3,4)(H,5,6).
What are the key properties of [1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;oxalic acid?
[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;oxalic acid has a molecular weight of 392.45 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;oxalic acid is sourced from PubChem (CID 662630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).