N-[1-(2-fluorophenyl)piperidin-4-yl]-4-methoxy-3-(pyrrolidin-3-ylmethyl)benzamide

C24H30FN3O2 — CID 166621811

IUPACN-[1-(2-fluorophenyl)piperidin-4-yl]-4-methoxy-3-(pyrrolidin-3-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)NC2CCN(c3ccccc3F)CC2)cc1CC1CCNC1
InChIInChI=1S/C24H30FN3O2/c1-30-23-7-6-18(15-19(23)14-17-8-11-26-16-17)24(29)27-20-9-12-28(13-10-20)22-5-3-2-4-21(22)25/h2-7,15,17,20,26H,8-14,16H2,1H3,(H,27,29)
InChIKeyZUCHUNUFRUZEEW-UHFFFAOYSA-N
MW411.52 g/mol
LogP3.39
Rot. Bonds6

About N-[1-(2-fluorophenyl)piperidin-4-yl]-4-methoxy-3-(pyrrolidin-3-ylmethyl)benzamide

N-[1-(2-fluorophenyl)piperidin-4-yl]-4-methoxy-3-(pyrrolidin-3-ylmethyl)benzamide (PubChem CID 166621811) has the molecular formula C24H30FN3O2 and a molecular weight of 411.52 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)piperidin-4-yl]-4-methoxy-3-(pyrrolidin-3-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)piperidin-4-yl]-4-methoxy-3-(pyrrolidin-3-ylmethyl)benzamide
PubChem CID166621811
Molecular FormulaC24H30FN3O2
Molecular Weight411.52 g/mol
Exact Mass411.23
IUPAC NameN-[1-(2-fluorophenyl)piperidin-4-yl]-4-methoxy-3-(pyrrolidin-3-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)NC2CCN(c3ccccc3F)CC2)cc1CC1CCNC1
InChIInChI=1S/C24H30FN3O2/c1-30-23-7-6-18(15-19(23)14-17-8-11-26-16-17)24(29)27-20-9-12-28(13-10-20)22-5-3-2-4-21(22)25/h2-7,15,17,20,26H,8-14,16H2,1H3,(H,27,29)
InChIKeyZUCHUNUFRUZEEW-UHFFFAOYSA-N
XLogP3.39
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.52
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-(pyrrolidin-3-ylmethyl)benzamide;dihydrochloride
CID 171687182
3,5-difluoro-N-[1-[2-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl]piperidin-4-yl]benzamide
CID 46037917
2-(2-fluorophenyl)-N-[1-(2-methoxyphenyl)piperidin-4-yl]acetamide
CID 49205489
N-cyclopropyl-3-ethyl-4-methoxybenzamide
CID 110761892
3-hydroxy-4-methoxy-N-piperidin-4-ylbenzamide
CID 79725951
4-methoxy-N-(1-propylpyrazol-4-yl)-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride
CID 171706977
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4-methoxy-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride
CID 171707629
methyl 4-methoxy-3-(pyrrolidin-3-ylmethoxy)benzoate
CID 117053759
4-(4-ethylpiperazin-1-yl)-3-fluoro-N-piperidin-3-ylbenzamide;dihydrochloride
CID 119426574
N-[1-(2-methoxyphenyl)piperidin-4-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 49204925
N-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-4-methoxy-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride
CID 171712061
3,4-dimethoxy-N-[1-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]piperidin-4-yl]benzamide
CID 93290995

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)piperidin-4-yl]-4-methoxy-3-(pyrrolidin-3-ylmethyl)benzamide?
The IUPAC name of N-[1-(2-fluorophenyl)piperidin-4-yl]-4-methoxy-3-(pyrrolidin-3-ylmethyl)benzamide (CID 166621811) is N-[1-(2-fluorophenyl)piperidin-4-yl]-4-methoxy-3-(pyrrolidin-3-ylmethyl)benzamide.
What is the SMILES notation for N-[1-(2-fluorophenyl)piperidin-4-yl]-4-methoxy-3-(pyrrolidin-3-ylmethyl)benzamide?
The canonical SMILES for N-[1-(2-fluorophenyl)piperidin-4-yl]-4-methoxy-3-(pyrrolidin-3-ylmethyl)benzamide is COc1ccc(C(=O)NC2CCN(c3ccccc3F)CC2)cc1CC1CCNC1.
What is the InChIKey of N-[1-(2-fluorophenyl)piperidin-4-yl]-4-methoxy-3-(pyrrolidin-3-ylmethyl)benzamide?
The InChIKey is ZUCHUNUFRUZEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O2/c1-30-23-7-6-18(15-19(23)14-17-8-11-26-16-17)24(29)27-20-9-12-28(13-10-20)22-5-3-2-4-21(22)25/h2-7,15,17,20,26H,8-14,16H2,1H3,(H,27,29).
What are the key properties of N-[1-(2-fluorophenyl)piperidin-4-yl]-4-methoxy-3-(pyrrolidin-3-ylmethyl)benzamide?
N-[1-(2-fluorophenyl)piperidin-4-yl]-4-methoxy-3-(pyrrolidin-3-ylmethyl)benzamide has a molecular weight of 411.52 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)piperidin-4-yl]-4-methoxy-3-(pyrrolidin-3-ylmethyl)benzamide is sourced from PubChem (CID 166621811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).