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

C26H33FN4O3 — CID 37187519

IUPAC1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
SMILESCOc1ccccc1NC(=O)C1CCN(CCC(=O)N2CCN(c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C26H33FN4O3/c1-34-24-5-3-2-4-23(24)28-26(33)20-10-13-29(14-11-20)15-12-25(32)31-18-16-30(17-19-31)22-8-6-21(27)7-9-22/h2-9,20H,10-19H2,1H3,(H,28,33)
InChIKeyQARXIDVQYWPLEL-UHFFFAOYSA-N
MW468.57 g/mol
LogP3.22
Rot. Bonds7

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

1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide (PubChem CID 37187519) has the molecular formula C26H33FN4O3 and a molecular weight of 468.57 g/mol. Its IUPAC name is 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
PubChem CID37187519
Molecular FormulaC26H33FN4O3
Molecular Weight468.57 g/mol
Exact Mass468.25
IUPAC Name1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
SMILESCOc1ccccc1NC(=O)C1CCN(CCC(=O)N2CCN(c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C26H33FN4O3/c1-34-24-5-3-2-4-23(24)28-26(33)20-10-13-29(14-11-20)15-12-25(32)31-18-16-30(17-19-31)22-8-6-21(27)7-9-22/h2-9,20H,10-19H2,1H3,(H,28,33)
InChIKeyQARXIDVQYWPLEL-UHFFFAOYSA-N
XLogP3.22
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.57
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide with MolForge

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Related Compounds

N-(2-methoxyphenyl)-1-(3-oxo-3-piperazin-1-ylpropyl)piperidine-4-carboxamide;hydrochloride
CID 120981028
1-[(4-fluorophenyl)methyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 45007705
3-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-N-(2-methoxyphenyl)propanamide
CID 87015722
2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 109138487
1-[2-(4-fluoroanilino)-2-oxoethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 16909483
N-(2-methoxyphenyl)-1-octanoylpiperidine-4-carboxamide
CID 55653511
1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 47089973
N-(2-methoxyphenyl)-1-pyridin-4-ylpiperidine-4-carboxamide
CID 46384770
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[4-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 60500933
1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 37176954
1-acetyl-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 6468496
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(4-methylpiperazin-1-yl)propan-1-one
CID 110853267

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide (CID 37187519) is 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide is COc1ccccc1NC(=O)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-(2-methoxyphenyl)piperidine-4-carboxamide?
The InChIKey is QARXIDVQYWPLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33FN4O3/c1-34-24-5-3-2-4-23(24)28-26(33)20-10-13-29(14-11-20)15-12-25(32)31-18-16-30(17-19-31)22-8-6-21(27)7-9-22/h2-9,20H,10-19H2,1H3,(H,28,33).
What are the key properties of 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide?
1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide has a molecular weight of 468.57 g/mol, XLogP of 3.22, 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-(2-methoxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 37187519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).