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

C23H29FN4O2 — CID 134099047

IUPACN-[1-[5-(4-fluorophenyl)pyrazolidin-3-yl]piperidin-4-yl]-4-methoxy-2-methylbenzamide
SMILESCOc1ccc(C(=O)NC2CCN(C3CC(c4ccc(F)cc4)NN3)CC2)c(C)c1
InChIInChI=1S/C23H29FN4O2/c1-15-13-19(30-2)7-8-20(15)23(29)25-18-9-11-28(12-10-18)22-14-21(26-27-22)16-3-5-17(24)6-4-16/h3-8,13,18,21-22,26-27H,9-12,14H2,1-2H3,(H,25,29)
InChIKeyWMORGSWHMUNMHE-UHFFFAOYSA-N
MW412.51 g/mol
LogP2.90
Rot. Bonds5

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

N-[1-[5-(4-fluorophenyl)pyrazolidin-3-yl]piperidin-4-yl]-4-methoxy-2-methylbenzamide (PubChem CID 134099047) has the molecular formula C23H29FN4O2 and a molecular weight of 412.51 g/mol. Its IUPAC name is N-[1-[5-(4-fluorophenyl)pyrazolidin-3-yl]piperidin-4-yl]-4-methoxy-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-[5-(4-fluorophenyl)pyrazolidin-3-yl]piperidin-4-yl]-4-methoxy-2-methylbenzamide
PubChem CID134099047
Molecular FormulaC23H29FN4O2
Molecular Weight412.51 g/mol
Exact Mass412.23
IUPAC NameN-[1-[5-(4-fluorophenyl)pyrazolidin-3-yl]piperidin-4-yl]-4-methoxy-2-methylbenzamide
SMILESCOc1ccc(C(=O)NC2CCN(C3CC(c4ccc(F)cc4)NN3)CC2)c(C)c1
InChIInChI=1S/C23H29FN4O2/c1-15-13-19(30-2)7-8-20(15)23(29)25-18-9-11-28(12-10-18)22-14-21(26-27-22)16-3-5-17(24)6-4-16/h3-8,13,18,21-22,26-27H,9-12,14H2,1-2H3,(H,25,29)
InChIKeyWMORGSWHMUNMHE-UHFFFAOYSA-N
XLogP2.90
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[5-(4-fluorophenyl)pyrazolidin-3-yl]piperidin-4-yl]-2-methylbenzamide
CID 134099091
5-chloro-N-[1-[5-(4-fluorophenyl)pyrazolidin-3-yl]piperidin-4-yl]-2-methoxybenzamide
CID 134099058
2,4-difluoro-N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]benzamide
CID 134098903
3-methoxy-N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]benzamide
CID 134099115
3,5-dimethoxy-N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]benzamide
CID 134098869
(3,4-dimethylphenyl)-[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone
CID 134098817
2-(3,4-diethoxyphenyl)-N-[1-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperidin-4-yl]acetamide
CID 134098984
(2,5-dimethylphenyl)-[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone
CID 134098851
3,5-dimethyl-N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]benzamide
CID 134099116
4-[(4-methoxy-2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 119228986
N-[1-[5-(4-chlorophenyl)pyrazolidin-3-yl]piperidin-4-yl]-4-(dimethylamino)benzamide
CID 134098939
4-methoxy-N-[(3S)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-2-methylbenzamide
CID 99741786

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(4-fluorophenyl)pyrazolidin-3-yl]piperidin-4-yl]-4-methoxy-2-methylbenzamide?
The IUPAC name of N-[1-[5-(4-fluorophenyl)pyrazolidin-3-yl]piperidin-4-yl]-4-methoxy-2-methylbenzamide (CID 134099047) is N-[1-[5-(4-fluorophenyl)pyrazolidin-3-yl]piperidin-4-yl]-4-methoxy-2-methylbenzamide.
What is the SMILES notation for N-[1-[5-(4-fluorophenyl)pyrazolidin-3-yl]piperidin-4-yl]-4-methoxy-2-methylbenzamide?
The canonical SMILES for N-[1-[5-(4-fluorophenyl)pyrazolidin-3-yl]piperidin-4-yl]-4-methoxy-2-methylbenzamide is COc1ccc(C(=O)NC2CCN(C3CC(c4ccc(F)cc4)NN3)CC2)c(C)c1.
What is the InChIKey of N-[1-[5-(4-fluorophenyl)pyrazolidin-3-yl]piperidin-4-yl]-4-methoxy-2-methylbenzamide?
The InChIKey is WMORGSWHMUNMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN4O2/c1-15-13-19(30-2)7-8-20(15)23(29)25-18-9-11-28(12-10-18)22-14-21(26-27-22)16-3-5-17(24)6-4-16/h3-8,13,18,21-22,26-27H,9-12,14H2,1-2H3,(H,25,29).
What are the key properties of N-[1-[5-(4-fluorophenyl)pyrazolidin-3-yl]piperidin-4-yl]-4-methoxy-2-methylbenzamide?
N-[1-[5-(4-fluorophenyl)pyrazolidin-3-yl]piperidin-4-yl]-4-methoxy-2-methylbenzamide has a molecular weight of 412.51 g/mol, XLogP of 2.90, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(4-fluorophenyl)pyrazolidin-3-yl]piperidin-4-yl]-4-methoxy-2-methylbenzamide is sourced from PubChem (CID 134099047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).