[4-(3-methoxyphenyl)piperazin-1-yl]-[5-(5-methylfuran-2-yl)pyrazolidin-3-yl]methanone

C20H26N4O3 — CID 134067077

IUPAC[4-(3-methoxyphenyl)piperazin-1-yl]-[5-(5-methylfuran-2-yl)pyrazolidin-3-yl]methanone
SMILESCOc1cccc(N2CCN(C(=O)C3CC(c4ccc(C)o4)NN3)CC2)c1
InChIInChI=1S/C20H26N4O3/c1-14-6-7-19(27-14)17-13-18(22-21-17)20(25)24-10-8-23(9-11-24)15-4-3-5-16(12-15)26-2/h3-7,12,17-18,21-22H,8-11,13H2,1-2H3
InChIKeyUUUDIPBSKVNHKY-UHFFFAOYSA-N
MW370.45 g/mol
LogP1.85
Rot. Bonds4

About [4-(3-methoxyphenyl)piperazin-1-yl]-[5-(5-methylfuran-2-yl)pyrazolidin-3-yl]methanone

[4-(3-methoxyphenyl)piperazin-1-yl]-[5-(5-methylfuran-2-yl)pyrazolidin-3-yl]methanone (PubChem CID 134067077) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is [4-(3-methoxyphenyl)piperazin-1-yl]-[5-(5-methylfuran-2-yl)pyrazolidin-3-yl]methanone.

Molecular Properties

Compound Name[4-(3-methoxyphenyl)piperazin-1-yl]-[5-(5-methylfuran-2-yl)pyrazolidin-3-yl]methanone
PubChem CID134067077
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name[4-(3-methoxyphenyl)piperazin-1-yl]-[5-(5-methylfuran-2-yl)pyrazolidin-3-yl]methanone
SMILESCOc1cccc(N2CCN(C(=O)C3CC(c4ccc(C)o4)NN3)CC2)c1
InChIInChI=1S/C20H26N4O3/c1-14-6-7-19(27-14)17-13-18(22-21-17)20(25)24-10-8-23(9-11-24)15-4-3-5-16(12-15)26-2/h3-7,12,17-18,21-22H,8-11,13H2,1-2H3
InChIKeyUUUDIPBSKVNHKY-UHFFFAOYSA-N
XLogP1.85
TPSA69.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(3-methoxyphenyl)pyrazolidin-3-yl]-[4-(4-methylphenyl)piperazin-1-yl]methanone
CID 75234418
[4-(3-chlorophenyl)piperazin-1-yl]-[5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]methanone
CID 75283616
[5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 75283611
[5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]-[4-(4-methylphenyl)piperazin-1-yl]methanone
CID 75283629
[4-(3-methoxyphenyl)piperazin-1-yl]-morpholin-3-ylmethanone
CID 119829383
2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 3696212
[4-(3-chlorophenyl)piperazin-1-yl]-[5-(4-methylphenyl)pyrazolidin-3-yl]methanone
CID 74487434
[5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 75283620
(Z)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-en-1-one
CID 129449640
(Z)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]prop-2-en-1-one
CID 100844934
3-[4-(3-methoxyphenyl)piperazine-1-carbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 17379074
[(1S,3S)-3-aminocyclopentyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 124691079

Frequently Asked Questions

What is the IUPAC name of [4-(3-methoxyphenyl)piperazin-1-yl]-[5-(5-methylfuran-2-yl)pyrazolidin-3-yl]methanone?
The IUPAC name of [4-(3-methoxyphenyl)piperazin-1-yl]-[5-(5-methylfuran-2-yl)pyrazolidin-3-yl]methanone (CID 134067077) is [4-(3-methoxyphenyl)piperazin-1-yl]-[5-(5-methylfuran-2-yl)pyrazolidin-3-yl]methanone.
What is the SMILES notation for [4-(3-methoxyphenyl)piperazin-1-yl]-[5-(5-methylfuran-2-yl)pyrazolidin-3-yl]methanone?
The canonical SMILES for [4-(3-methoxyphenyl)piperazin-1-yl]-[5-(5-methylfuran-2-yl)pyrazolidin-3-yl]methanone is COc1cccc(N2CCN(C(=O)C3CC(c4ccc(C)o4)NN3)CC2)c1.
What is the InChIKey of [4-(3-methoxyphenyl)piperazin-1-yl]-[5-(5-methylfuran-2-yl)pyrazolidin-3-yl]methanone?
The InChIKey is UUUDIPBSKVNHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-14-6-7-19(27-14)17-13-18(22-21-17)20(25)24-10-8-23(9-11-24)15-4-3-5-16(12-15)26-2/h3-7,12,17-18,21-22H,8-11,13H2,1-2H3.
What are the key properties of [4-(3-methoxyphenyl)piperazin-1-yl]-[5-(5-methylfuran-2-yl)pyrazolidin-3-yl]methanone?
[4-(3-methoxyphenyl)piperazin-1-yl]-[5-(5-methylfuran-2-yl)pyrazolidin-3-yl]methanone has a molecular weight of 370.45 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methoxyphenyl)piperazin-1-yl]-[5-(5-methylfuran-2-yl)pyrazolidin-3-yl]methanone is sourced from PubChem (CID 134067077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).