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

C22H26ClFN4O2 — CID 134099058

IUPAC5-chloro-N-[1-[5-(4-fluorophenyl)pyrazolidin-3-yl]piperidin-4-yl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NC1CCN(C2CC(c3ccc(F)cc3)NN2)CC1
InChIInChI=1S/C22H26ClFN4O2/c1-30-20-7-4-15(23)12-18(20)22(29)25-17-8-10-28(11-9-17)21-13-19(26-27-21)14-2-5-16(24)6-3-14/h2-7,12,17,19,21,26-27H,8-11,13H2,1H3,(H,25,29)
InChIKeyUUGFDYATHOORQN-UHFFFAOYSA-N
MW432.93 g/mol
LogP3.25
Rot. Bonds5

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

5-chloro-N-[1-[5-(4-fluorophenyl)pyrazolidin-3-yl]piperidin-4-yl]-2-methoxybenzamide (PubChem CID 134099058) has the molecular formula C22H26ClFN4O2 and a molecular weight of 432.93 g/mol. Its IUPAC name is 5-chloro-N-[1-[5-(4-fluorophenyl)pyrazolidin-3-yl]piperidin-4-yl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[1-[5-(4-fluorophenyl)pyrazolidin-3-yl]piperidin-4-yl]-2-methoxybenzamide
PubChem CID134099058
Molecular FormulaC22H26ClFN4O2
Molecular Weight432.93 g/mol
Exact Mass432.17
IUPAC Name5-chloro-N-[1-[5-(4-fluorophenyl)pyrazolidin-3-yl]piperidin-4-yl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NC1CCN(C2CC(c3ccc(F)cc3)NN2)CC1
InChIInChI=1S/C22H26ClFN4O2/c1-30-20-7-4-15(23)12-18(20)22(29)25-17-8-10-28(11-9-17)21-13-19(26-27-21)14-2-5-16(24)6-3-14/h2-7,12,17,19,21,26-27H,8-11,13H2,1H3,(H,25,29)
InChIKeyUUGFDYATHOORQN-UHFFFAOYSA-N
XLogP3.25
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.93
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[5-(4-fluorophenyl)pyrazolidin-3-yl]piperidin-4-yl]-4-methoxy-2-methylbenzamide
CID 134099047
2,4-difluoro-N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]benzamide
CID 134098903
N-[1-[5-(4-fluorophenyl)pyrazolidin-3-yl]piperidin-4-yl]-2-methylbenzamide
CID 134099091
(5-chloro-2-methoxyphenyl)-[4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]methanone
CID 134088263
5-chloro-N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2-methoxybenzamide
CID 108552221
N-(azetidin-3-yl)-5-chloro-2-methoxybenzamide
CID 66186533
3,5-dimethoxy-N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]benzamide
CID 134098869
5-chloro-2-methoxy-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 32541177
5-chloro-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-methoxybenzamide
CID 108552297
5-chloro-N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-2-methoxybenzamide
CID 108552291
3-methoxy-N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]benzamide
CID 134099115
N-[1-[5-(3-chlorophenyl)pyrazolidine-3-carbonyl]piperidin-4-yl]-2-methoxybenzamide
CID 75270681

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-[5-(4-fluorophenyl)pyrazolidin-3-yl]piperidin-4-yl]-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[1-[5-(4-fluorophenyl)pyrazolidin-3-yl]piperidin-4-yl]-2-methoxybenzamide (CID 134099058) is 5-chloro-N-[1-[5-(4-fluorophenyl)pyrazolidin-3-yl]piperidin-4-yl]-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[1-[5-(4-fluorophenyl)pyrazolidin-3-yl]piperidin-4-yl]-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[1-[5-(4-fluorophenyl)pyrazolidin-3-yl]piperidin-4-yl]-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)NC1CCN(C2CC(c3ccc(F)cc3)NN2)CC1.
What is the InChIKey of 5-chloro-N-[1-[5-(4-fluorophenyl)pyrazolidin-3-yl]piperidin-4-yl]-2-methoxybenzamide?
The InChIKey is UUGFDYATHOORQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClFN4O2/c1-30-20-7-4-15(23)12-18(20)22(29)25-17-8-10-28(11-9-17)21-13-19(26-27-21)14-2-5-16(24)6-3-14/h2-7,12,17,19,21,26-27H,8-11,13H2,1H3,(H,25,29).
What are the key properties of 5-chloro-N-[1-[5-(4-fluorophenyl)pyrazolidin-3-yl]piperidin-4-yl]-2-methoxybenzamide?
5-chloro-N-[1-[5-(4-fluorophenyl)pyrazolidin-3-yl]piperidin-4-yl]-2-methoxybenzamide has a molecular weight of 432.93 g/mol, XLogP of 3.25, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-[5-(4-fluorophenyl)pyrazolidin-3-yl]piperidin-4-yl]-2-methoxybenzamide is sourced from PubChem (CID 134099058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).