(4-cyclohexylpiperazin-1-yl)-phenylmethanone;oxalic acid

C19H26N2O5 — CID 2881277

IUPAC(4-cyclohexylpiperazin-1-yl)-phenylmethanone;oxalic acid
SMILESO=C(O)C(=O)O.O=C(c1ccccc1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C17H24N2O.C2H2O4/c20-17(15-7-3-1-4-8-15)19-13-11-18(12-14-19)16-9-5-2-6-10-16;3-1(4)2(5)6/h1,3-4,7-8,16H,2,5-6,9-14H2;(H,3,4)(H,5,6)
InChIKeyFZMCHESEZFGMRY-UHFFFAOYSA-N
MW362.43 g/mol
LogP1.93
Rot. Bonds2

About (4-cyclohexylpiperazin-1-yl)-phenylmethanone;oxalic acid

(4-cyclohexylpiperazin-1-yl)-phenylmethanone;oxalic acid (PubChem CID 2881277) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is (4-cyclohexylpiperazin-1-yl)-phenylmethanone;oxalic acid.

Molecular Properties

Compound Name(4-cyclohexylpiperazin-1-yl)-phenylmethanone;oxalic acid
PubChem CID2881277
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC Name(4-cyclohexylpiperazin-1-yl)-phenylmethanone;oxalic acid
SMILESO=C(O)C(=O)O.O=C(c1ccccc1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C17H24N2O.C2H2O4/c20-17(15-7-3-1-4-8-15)19-13-11-18(12-14-19)16-9-5-2-6-10-16;3-1(4)2(5)6/h1,3-4,7-8,16H,2,5-6,9-14H2;(H,3,4)(H,5,6)
InChIKeyFZMCHESEZFGMRY-UHFFFAOYSA-N
XLogP1.93
TPSA98.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-cyclohexylpiperazin-1-yl)-phenylmethanone;oxalic acid?
The IUPAC name of (4-cyclohexylpiperazin-1-yl)-phenylmethanone;oxalic acid (CID 2881277) is (4-cyclohexylpiperazin-1-yl)-phenylmethanone;oxalic acid.
What is the SMILES notation for (4-cyclohexylpiperazin-1-yl)-phenylmethanone;oxalic acid?
The canonical SMILES for (4-cyclohexylpiperazin-1-yl)-phenylmethanone;oxalic acid is O=C(O)C(=O)O.O=C(c1ccccc1)N1CCN(C2CCCCC2)CC1.
What is the InChIKey of (4-cyclohexylpiperazin-1-yl)-phenylmethanone;oxalic acid?
The InChIKey is FZMCHESEZFGMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O.C2H2O4/c20-17(15-7-3-1-4-8-15)19-13-11-18(12-14-19)16-9-5-2-6-10-16;3-1(4)2(5)6/h1,3-4,7-8,16H,2,5-6,9-14H2;(H,3,4)(H,5,6).
What are the key properties of (4-cyclohexylpiperazin-1-yl)-phenylmethanone;oxalic acid?
(4-cyclohexylpiperazin-1-yl)-phenylmethanone;oxalic acid has a molecular weight of 362.43 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexylpiperazin-1-yl)-phenylmethanone;oxalic acid is sourced from PubChem (CID 2881277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).