4-cyano-N-[1-[3-(4-fluorophenyl)pyrazolidine-4-carbonyl]piperidin-4-yl]benzamide

C23H24FN5O2 — CID 75270702

IUPAC4-cyano-N-[1-[3-(4-fluorophenyl)pyrazolidine-4-carbonyl]piperidin-4-yl]benzamide
SMILESN#Cc1ccc(C(=O)NC2CCN(C(=O)C3CNNC3c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C23H24FN5O2/c24-18-7-5-16(6-8-18)21-20(14-26-28-21)23(31)29-11-9-19(10-12-29)27-22(30)17-3-1-15(13-25)2-4-17/h1-8,19-21,26,28H,9-12,14H2,(H,27,30)
InChIKeyILUPFLAHYIDYTF-UHFFFAOYSA-N
MW421.48 g/mol
LogP1.88
Rot. Bonds4

About 4-cyano-N-[1-[3-(4-fluorophenyl)pyrazolidine-4-carbonyl]piperidin-4-yl]benzamide

4-cyano-N-[1-[3-(4-fluorophenyl)pyrazolidine-4-carbonyl]piperidin-4-yl]benzamide (PubChem CID 75270702) has the molecular formula C23H24FN5O2 and a molecular weight of 421.48 g/mol. Its IUPAC name is 4-cyano-N-[1-[3-(4-fluorophenyl)pyrazolidine-4-carbonyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[1-[3-(4-fluorophenyl)pyrazolidine-4-carbonyl]piperidin-4-yl]benzamide
PubChem CID75270702
Molecular FormulaC23H24FN5O2
Molecular Weight421.48 g/mol
Exact Mass421.19
IUPAC Name4-cyano-N-[1-[3-(4-fluorophenyl)pyrazolidine-4-carbonyl]piperidin-4-yl]benzamide
SMILESN#Cc1ccc(C(=O)NC2CCN(C(=O)C3CNNC3c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C23H24FN5O2/c24-18-7-5-16(6-8-18)21-20(14-26-28-21)23(31)29-11-9-19(10-12-29)27-22(30)17-3-1-15(13-25)2-4-17/h1-8,19-21,26,28H,9-12,14H2,(H,27,30)
InChIKeyILUPFLAHYIDYTF-UHFFFAOYSA-N
XLogP1.88
TPSA97.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-acetylpiperidin-4-yl)-4-cyanobenzamide
CID 17463259
1-[4-[3-(4-fluorophenyl)pyrazolidine-4-carbonyl]piperazin-1-yl]ethanone
CID 134057149
4-cyano-N-[1-(3,3,3-trifluoro-2,2-dimethylpropanoyl)piperidin-4-yl]benzamide
CID 138617831
N-(1-chloropiperidin-4-yl)-4-fluorobenzamide
CID 89224691
ethyl 4-[(4-cyanobenzoyl)amino]piperidine-1-carboxylate
CID 17473701
4-cyano-N-(1-ethylpiperidin-4-yl)benzamide
CID 9091097
4-fluoro-N-[1-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carbonyl]piperidin-4-yl]benzamide
CID 120922352
4-[(4-fluorobenzoyl)amino]-N-methylpiperidine-1-carboxamide
CID 47162435
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-cyanobenzamide
CID 24674040
N-(1-acetylpyrrolidin-3-yl)-4-fluorobenzamide
CID 110871339
4-cyano-N-(3-methylcyclohexyl)benzamide
CID 43244094
azepan-1-yl-[3-(4-chlorophenyl)pyrazolidin-4-yl]methanone
CID 134036153

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[1-[3-(4-fluorophenyl)pyrazolidine-4-carbonyl]piperidin-4-yl]benzamide?
The IUPAC name of 4-cyano-N-[1-[3-(4-fluorophenyl)pyrazolidine-4-carbonyl]piperidin-4-yl]benzamide (CID 75270702) is 4-cyano-N-[1-[3-(4-fluorophenyl)pyrazolidine-4-carbonyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 4-cyano-N-[1-[3-(4-fluorophenyl)pyrazolidine-4-carbonyl]piperidin-4-yl]benzamide?
The canonical SMILES for 4-cyano-N-[1-[3-(4-fluorophenyl)pyrazolidine-4-carbonyl]piperidin-4-yl]benzamide is N#Cc1ccc(C(=O)NC2CCN(C(=O)C3CNNC3c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 4-cyano-N-[1-[3-(4-fluorophenyl)pyrazolidine-4-carbonyl]piperidin-4-yl]benzamide?
The InChIKey is ILUPFLAHYIDYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O2/c24-18-7-5-16(6-8-18)21-20(14-26-28-21)23(31)29-11-9-19(10-12-29)27-22(30)17-3-1-15(13-25)2-4-17/h1-8,19-21,26,28H,9-12,14H2,(H,27,30).
What are the key properties of 4-cyano-N-[1-[3-(4-fluorophenyl)pyrazolidine-4-carbonyl]piperidin-4-yl]benzamide?
4-cyano-N-[1-[3-(4-fluorophenyl)pyrazolidine-4-carbonyl]piperidin-4-yl]benzamide has a molecular weight of 421.48 g/mol, XLogP of 1.88, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[1-[3-(4-fluorophenyl)pyrazolidine-4-carbonyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 75270702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).