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

C25H32FN3O3 — CID 42703541

IUPACN-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(furan-2-ylmethyl)cyclohexanecarboxamide
SMILESO=C(CCN(Cc1ccco1)C(=O)C1CCCCC1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C25H32FN3O3/c26-22-10-4-5-11-23(22)27-14-16-28(17-15-27)24(30)12-13-29(19-21-9-6-18-32-21)25(31)20-7-2-1-3-8-20/h4-6,9-11,18,20H,1-3,7-8,12-17,19H2
InChIKeyDPDDWDIQQLRPDM-UHFFFAOYSA-N
MW441.55 g/mol
LogP4.07
Rot. Bonds7

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

N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(furan-2-ylmethyl)cyclohexanecarboxamide (PubChem CID 42703541) has the molecular formula C25H32FN3O3 and a molecular weight of 441.55 g/mol. Its IUPAC name is N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(furan-2-ylmethyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(furan-2-ylmethyl)cyclohexanecarboxamide
PubChem CID42703541
Molecular FormulaC25H32FN3O3
Molecular Weight441.55 g/mol
Exact Mass441.24
IUPAC NameN-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(furan-2-ylmethyl)cyclohexanecarboxamide
SMILESO=C(CCN(Cc1ccco1)C(=O)C1CCCCC1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C25H32FN3O3/c26-22-10-4-5-11-23(22)27-14-16-28(17-15-27)24(30)12-13-29(19-21-9-6-18-32-21)25(31)20-7-2-1-3-8-20/h4-6,9-11,18,20H,1-3,7-8,12-17,19H2
InChIKeyDPDDWDIQQLRPDM-UHFFFAOYSA-N
XLogP4.07
TPSA57.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(furan-2-ylmethyl)cyclohexanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(furan-2-ylmethyl)-2,5-dimethylfuran-3-carboxamide
CID 1030452
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)methanesulfonamide
CID 113150299
3-[cyclopropanecarbonyl(furan-2-ylmethyl)amino]propanoic acid
CID 82323935
N-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(furan-2-ylmethyl)-5-methylpyrazine-2-carboxamide
CID 1026321
N-benzyl-N-(furan-2-ylmethyl)cyclopentanecarboxamide
CID 52894765
3-(cycloheptylamino)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
CID 109029809
(3S)-1-cyclohexyl-N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)piperidine-3-carboxamide
CID 95119803
N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)acetamide
CID 113118002
N-cycloheptyl-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113166319
N-(furan-2-ylmethyl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]pyrazine-2-carboxamide
CID 1031541
N-(furan-2-ylmethyl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide
CID 1030450
4-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]butan-1-one
CID 22692254

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(furan-2-ylmethyl)cyclohexanecarboxamide?
The IUPAC name of N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(furan-2-ylmethyl)cyclohexanecarboxamide (CID 42703541) is N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(furan-2-ylmethyl)cyclohexanecarboxamide.
What is the SMILES notation for N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(furan-2-ylmethyl)cyclohexanecarboxamide?
The canonical SMILES for N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(furan-2-ylmethyl)cyclohexanecarboxamide is O=C(CCN(Cc1ccco1)C(=O)C1CCCCC1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(furan-2-ylmethyl)cyclohexanecarboxamide?
The InChIKey is DPDDWDIQQLRPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FN3O3/c26-22-10-4-5-11-23(22)27-14-16-28(17-15-27)24(30)12-13-29(19-21-9-6-18-32-21)25(31)20-7-2-1-3-8-20/h4-6,9-11,18,20H,1-3,7-8,12-17,19H2.
What are the key properties of N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(furan-2-ylmethyl)cyclohexanecarboxamide?
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(furan-2-ylmethyl)cyclohexanecarboxamide has a molecular weight of 441.55 g/mol, XLogP of 4.07, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(furan-2-ylmethyl)cyclohexanecarboxamide is sourced from PubChem (CID 42703541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).