N-cyclopropyl-2-fluoro-4-(4-piperidin-4-ylpiperidin-1-yl)benzamide

C20H28FN3O — CID 71081149

IUPACN-cyclopropyl-2-fluoro-4-(4-piperidin-4-ylpiperidin-1-yl)benzamide
SMILESO=C(NC1CC1)c1ccc(N2CCC(C3CCNCC3)CC2)cc1F
InChIInChI=1S/C20H28FN3O/c21-19-13-17(3-4-18(19)20(25)23-16-1-2-16)24-11-7-15(8-12-24)14-5-9-22-10-6-14/h3-4,13-16,22H,1-2,5-12H2,(H,23,25)
InChIKeyNDNXHKOXAIYBTF-UHFFFAOYSA-N
MW345.46 g/mol
LogP2.93
Rot. Bonds4

About N-cyclopropyl-2-fluoro-4-(4-piperidin-4-ylpiperidin-1-yl)benzamide

N-cyclopropyl-2-fluoro-4-(4-piperidin-4-ylpiperidin-1-yl)benzamide (PubChem CID 71081149) has the molecular formula C20H28FN3O and a molecular weight of 345.46 g/mol. Its IUPAC name is N-cyclopropyl-2-fluoro-4-(4-piperidin-4-ylpiperidin-1-yl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-fluoro-4-(4-piperidin-4-ylpiperidin-1-yl)benzamide
PubChem CID71081149
Molecular FormulaC20H28FN3O
Molecular Weight345.46 g/mol
Exact Mass345.22
IUPAC NameN-cyclopropyl-2-fluoro-4-(4-piperidin-4-ylpiperidin-1-yl)benzamide
SMILESO=C(NC1CC1)c1ccc(N2CCC(C3CCNCC3)CC2)cc1F
InChIInChI=1S/C20H28FN3O/c21-19-13-17(3-4-18(19)20(25)23-16-1-2-16)24-11-7-15(8-12-24)14-5-9-22-10-6-14/h3-4,13-16,22H,1-2,5-12H2,(H,23,25)
InChIKeyNDNXHKOXAIYBTF-UHFFFAOYSA-N
XLogP2.93
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-methyl-4-piperazin-1-ylbenzamide
CID 133083293
2-fluoro-4-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389290
2,5-difluoro-N-piperidin-4-ylbenzamide
CID 24690587
N-(1-cyanopyrrolidin-3-yl)-2-fluoro-4-pyrrolidin-1-ylbenzamide
CID 122590391
4-amino-2-fluoro-N-pyrrolidin-3-ylbenzamide
CID 174879133
4-(3,4-dimethylphenyl)-2-fluoro-N-piperidin-4-ylbenzamide
CID 119388030
3-[1-(3,4-difluorophenyl)piperidin-4-yl]-1-methyl-1-piperidin-4-ylurea
CID 142868112
2-fluoro-4-nitro-N-(1-phenylpiperidin-4-yl)benzamide
CID 86830352
2-fluoro-4-(4-methylimidazol-1-yl)-N-pyrrolidin-3-ylbenzamide
CID 122590890
2,4-difluoro-5-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119386244
N-(2,6-dioxopiperidin-3-yl)-2-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]benzamide
CID 171626777
2-fluoro-5-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119387686

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-fluoro-4-(4-piperidin-4-ylpiperidin-1-yl)benzamide?
The IUPAC name of N-cyclopropyl-2-fluoro-4-(4-piperidin-4-ylpiperidin-1-yl)benzamide (CID 71081149) is N-cyclopropyl-2-fluoro-4-(4-piperidin-4-ylpiperidin-1-yl)benzamide.
What is the SMILES notation for N-cyclopropyl-2-fluoro-4-(4-piperidin-4-ylpiperidin-1-yl)benzamide?
The canonical SMILES for N-cyclopropyl-2-fluoro-4-(4-piperidin-4-ylpiperidin-1-yl)benzamide is O=C(NC1CC1)c1ccc(N2CCC(C3CCNCC3)CC2)cc1F.
What is the InChIKey of N-cyclopropyl-2-fluoro-4-(4-piperidin-4-ylpiperidin-1-yl)benzamide?
The InChIKey is NDNXHKOXAIYBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN3O/c21-19-13-17(3-4-18(19)20(25)23-16-1-2-16)24-11-7-15(8-12-24)14-5-9-22-10-6-14/h3-4,13-16,22H,1-2,5-12H2,(H,23,25).
What are the key properties of N-cyclopropyl-2-fluoro-4-(4-piperidin-4-ylpiperidin-1-yl)benzamide?
N-cyclopropyl-2-fluoro-4-(4-piperidin-4-ylpiperidin-1-yl)benzamide has a molecular weight of 345.46 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-fluoro-4-(4-piperidin-4-ylpiperidin-1-yl)benzamide is sourced from PubChem (CID 71081149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).