1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide

C24H31FN4O3 — CID 47089973

IUPAC1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccco1)C1CCN(CCC(=O)N2CCN(c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C24H31FN4O3/c25-20-3-5-21(6-4-20)28-13-15-29(16-14-28)23(30)9-12-27-10-7-19(8-11-27)24(31)26-18-22-2-1-17-32-22/h1-6,17,19H,7-16,18H2,(H,26,31)
InChIKeyKOBCJDUXGRKZIM-UHFFFAOYSA-N
MW442.54 g/mol
LogP2.49
Rot. Bonds7

About 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide

1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 47089973) has the molecular formula C24H31FN4O3 and a molecular weight of 442.54 g/mol. Its IUPAC name is 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
PubChem CID47089973
Molecular FormulaC24H31FN4O3
Molecular Weight442.54 g/mol
Exact Mass442.24
IUPAC Name1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccco1)C1CCN(CCC(=O)N2CCN(c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C24H31FN4O3/c25-20-3-5-21(6-4-20)28-13-15-29(16-14-28)23(30)9-12-27-10-7-19(8-11-27)24(31)26-18-22-2-1-17-32-22/h1-6,17,19H,7-16,18H2,(H,26,31)
InChIKeyKOBCJDUXGRKZIM-UHFFFAOYSA-N
XLogP2.49
TPSA69.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 37187519
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[4-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 60500933
4-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N'-methylpiperazine-1-carboximidamide
CID 111165687
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(4-methylpiperazin-1-yl)propan-1-one
CID 110853267
5-[4-(4-fluorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109187509
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55885131
N-[(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]cyclopropanecarboxamide
CID 7162829
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 111442592
4-(furan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63789935
1-(4-fluorobenzoyl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 18103397
N-(furan-2-ylmethyl)-1-(2-hydroxybenzoyl)piperidine-4-carboxamide
CID 51102513
3-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 60542887

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide (CID 47089973) is 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide is O=C(NCc1ccco1)C1CCN(CCC(=O)N2CCN(c3ccc(F)cc3)CC2)CC1.
What is the InChIKey of 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is KOBCJDUXGRKZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN4O3/c25-20-3-5-21(6-4-20)28-13-15-29(16-14-28)23(30)9-12-27-10-7-19(8-11-27)24(31)26-18-22-2-1-17-32-22/h1-6,17,19H,7-16,18H2,(H,26,31).
What are the key properties of 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide?
1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 442.54 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 47089973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).