N-(2-fluorophenyl)-3-[1-[1-(4-methoxyphenyl)piperidin-4-yl]piperidin-3-yl]propanamide

C26H34FN3O2 — CID 45220562

IUPACN-(2-fluorophenyl)-3-[1-[1-(4-methoxyphenyl)piperidin-4-yl]piperidin-3-yl]propanamide
SMILESCOc1ccc(N2CCC(N3CCCC(CCC(=O)Nc4ccccc4F)C3)CC2)cc1
InChIInChI=1S/C26H34FN3O2/c1-32-23-11-9-21(10-12-23)29-17-14-22(15-18-29)30-16-4-5-20(19-30)8-13-26(31)28-25-7-3-2-6-24(25)27/h2-3,6-7,9-12,20,22H,4-5,8,13-19H2,1H3,(H,28,31)
InChIKeyUMOMRCIRNYZQBB-UHFFFAOYSA-N
MW439.58 g/mol
LogP4.93
Rot. Bonds7

About N-(2-fluorophenyl)-3-[1-[1-(4-methoxyphenyl)piperidin-4-yl]piperidin-3-yl]propanamide

N-(2-fluorophenyl)-3-[1-[1-(4-methoxyphenyl)piperidin-4-yl]piperidin-3-yl]propanamide (PubChem CID 45220562) has the molecular formula C26H34FN3O2 and a molecular weight of 439.58 g/mol. Its IUPAC name is N-(2-fluorophenyl)-3-[1-[1-(4-methoxyphenyl)piperidin-4-yl]piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-3-[1-[1-(4-methoxyphenyl)piperidin-4-yl]piperidin-3-yl]propanamide
PubChem CID45220562
Molecular FormulaC26H34FN3O2
Molecular Weight439.58 g/mol
Exact Mass439.26
IUPAC NameN-(2-fluorophenyl)-3-[1-[1-(4-methoxyphenyl)piperidin-4-yl]piperidin-3-yl]propanamide
SMILESCOc1ccc(N2CCC(N3CCCC(CCC(=O)Nc4ccccc4F)C3)CC2)cc1
InChIInChI=1S/C26H34FN3O2/c1-32-23-11-9-21(10-12-23)29-17-14-22(15-18-29)30-16-4-5-20(19-30)8-13-26(31)28-25-7-3-2-6-24(25)27/h2-3,6-7,9-12,20,22H,4-5,8,13-19H2,1H3,(H,28,31)
InChIKeyUMOMRCIRNYZQBB-UHFFFAOYSA-N
XLogP4.93
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.58
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-[(3S)-1-[1-(4-methoxyphenyl)piperidin-4-yl]piperidin-3-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 42455315
N-(4-methoxy-2-methylphenyl)-3-[(3R)-1-(oxan-4-yl)piperidin-3-yl]propanamide
CID 26411725
3-cyclopentyl-N-(2-fluorophenyl)propanamide
CID 917347
3-(1-cyclohexylpiperidin-3-yl)-N-(3,5-dimethoxyphenyl)propanamide
CID 45202621
3-[(3R)-1-[2-(2-fluorophenyl)acetyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide
CID 42195877
N-(2-fluorophenyl)-3-[(3R)-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]propanamide
CID 42415624
N-(2-fluorophenyl)-3-[1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]propanamide
CID 45187738
ethyl 4-[(3R)-3-[3-[(2-fluorophenyl)methylamino]-3-oxopropyl]piperidin-1-yl]piperidine-1-carboxylate
CID 26393783
ethyl 4-[(3R)-1-[1-(4-methoxyphenyl)piperidin-4-yl]piperidin-3-yl]piperazine-1-carboxylate
CID 29214380
N-[2-(dimethylamino)ethyl]-3-[1-[1-(4-methoxyphenyl)piperidin-4-yl]piperidin-4-yl]propanamide
CID 25276266
N-(2-fluorophenyl)-3-[1-(thiophene-3-carbonyl)piperidin-3-yl]propanamide
CID 72886779
N-(2-fluorophenyl)-3-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-yl]propanamide
CID 45194818

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-3-[1-[1-(4-methoxyphenyl)piperidin-4-yl]piperidin-3-yl]propanamide?
The IUPAC name of N-(2-fluorophenyl)-3-[1-[1-(4-methoxyphenyl)piperidin-4-yl]piperidin-3-yl]propanamide (CID 45220562) is N-(2-fluorophenyl)-3-[1-[1-(4-methoxyphenyl)piperidin-4-yl]piperidin-3-yl]propanamide.
What is the SMILES notation for N-(2-fluorophenyl)-3-[1-[1-(4-methoxyphenyl)piperidin-4-yl]piperidin-3-yl]propanamide?
The canonical SMILES for N-(2-fluorophenyl)-3-[1-[1-(4-methoxyphenyl)piperidin-4-yl]piperidin-3-yl]propanamide is COc1ccc(N2CCC(N3CCCC(CCC(=O)Nc4ccccc4F)C3)CC2)cc1.
What is the InChIKey of N-(2-fluorophenyl)-3-[1-[1-(4-methoxyphenyl)piperidin-4-yl]piperidin-3-yl]propanamide?
The InChIKey is UMOMRCIRNYZQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34FN3O2/c1-32-23-11-9-21(10-12-23)29-17-14-22(15-18-29)30-16-4-5-20(19-30)8-13-26(31)28-25-7-3-2-6-24(25)27/h2-3,6-7,9-12,20,22H,4-5,8,13-19H2,1H3,(H,28,31).
What are the key properties of N-(2-fluorophenyl)-3-[1-[1-(4-methoxyphenyl)piperidin-4-yl]piperidin-3-yl]propanamide?
N-(2-fluorophenyl)-3-[1-[1-(4-methoxyphenyl)piperidin-4-yl]piperidin-3-yl]propanamide has a molecular weight of 439.58 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-3-[1-[1-(4-methoxyphenyl)piperidin-4-yl]piperidin-3-yl]propanamide is sourced from PubChem (CID 45220562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).