N-[1-[5-(4-fluorophenyl)pyrazolidin-3-yl]piperidin-4-yl]-2-methylbenzamide

C22H27FN4O — CID 134099091

IUPACN-[1-[5-(4-fluorophenyl)pyrazolidin-3-yl]piperidin-4-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC1CCN(C2CC(c3ccc(F)cc3)NN2)CC1
InChIInChI=1S/C22H27FN4O/c1-15-4-2-3-5-19(15)22(28)24-18-10-12-27(13-11-18)21-14-20(25-26-21)16-6-8-17(23)9-7-16/h2-9,18,20-21,25-26H,10-14H2,1H3,(H,24,28)
InChIKeyQYSQZILCPWCXQI-UHFFFAOYSA-N
MW382.48 g/mol
LogP2.89
Rot. Bonds4

About N-[1-[5-(4-fluorophenyl)pyrazolidin-3-yl]piperidin-4-yl]-2-methylbenzamide

N-[1-[5-(4-fluorophenyl)pyrazolidin-3-yl]piperidin-4-yl]-2-methylbenzamide (PubChem CID 134099091) has the molecular formula C22H27FN4O and a molecular weight of 382.48 g/mol. Its IUPAC name is N-[1-[5-(4-fluorophenyl)pyrazolidin-3-yl]piperidin-4-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-[5-(4-fluorophenyl)pyrazolidin-3-yl]piperidin-4-yl]-2-methylbenzamide
PubChem CID134099091
Molecular FormulaC22H27FN4O
Molecular Weight382.48 g/mol
Exact Mass382.22
IUPAC NameN-[1-[5-(4-fluorophenyl)pyrazolidin-3-yl]piperidin-4-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC1CCN(C2CC(c3ccc(F)cc3)NN2)CC1
InChIInChI=1S/C22H27FN4O/c1-15-4-2-3-5-19(15)22(28)24-18-10-12-27(13-11-18)21-14-20(25-26-21)16-6-8-17(23)9-7-16/h2-9,18,20-21,25-26H,10-14H2,1H3,(H,24,28)
InChIKeyQYSQZILCPWCXQI-UHFFFAOYSA-N
XLogP2.89
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(4-fluorophenyl)pyrazolidin-3-yl]piperidin-4-yl]-2-methylbenzamide?
The IUPAC name of N-[1-[5-(4-fluorophenyl)pyrazolidin-3-yl]piperidin-4-yl]-2-methylbenzamide (CID 134099091) is N-[1-[5-(4-fluorophenyl)pyrazolidin-3-yl]piperidin-4-yl]-2-methylbenzamide.
What is the SMILES notation for N-[1-[5-(4-fluorophenyl)pyrazolidin-3-yl]piperidin-4-yl]-2-methylbenzamide?
The canonical SMILES for N-[1-[5-(4-fluorophenyl)pyrazolidin-3-yl]piperidin-4-yl]-2-methylbenzamide is Cc1ccccc1C(=O)NC1CCN(C2CC(c3ccc(F)cc3)NN2)CC1.
What is the InChIKey of N-[1-[5-(4-fluorophenyl)pyrazolidin-3-yl]piperidin-4-yl]-2-methylbenzamide?
The InChIKey is QYSQZILCPWCXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4O/c1-15-4-2-3-5-19(15)22(28)24-18-10-12-27(13-11-18)21-14-20(25-26-21)16-6-8-17(23)9-7-16/h2-9,18,20-21,25-26H,10-14H2,1H3,(H,24,28).
What are the key properties of N-[1-[5-(4-fluorophenyl)pyrazolidin-3-yl]piperidin-4-yl]-2-methylbenzamide?
N-[1-[5-(4-fluorophenyl)pyrazolidin-3-yl]piperidin-4-yl]-2-methylbenzamide has a molecular weight of 382.48 g/mol, XLogP of 2.89, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(4-fluorophenyl)pyrazolidin-3-yl]piperidin-4-yl]-2-methylbenzamide is sourced from PubChem (CID 134099091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).