2-chloro-N-[1-[5-(3-chlorophenyl)pyrazolidine-3-carbonyl]piperidin-4-yl]benzamide

C22H24Cl2N4O2 — CID 75270685

IUPAC2-chloro-N-[1-[5-(3-chlorophenyl)pyrazolidine-3-carbonyl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(C(=O)C2CC(c3cccc(Cl)c3)NN2)CC1)c1ccccc1Cl
InChIInChI=1S/C22H24Cl2N4O2/c23-15-5-3-4-14(12-15)19-13-20(27-26-19)22(30)28-10-8-16(9-11-28)25-21(29)17-6-1-2-7-18(17)24/h1-7,12,16,19-20,26-27H,8-11,13H2,(H,25,29)
InChIKeyCRYSEBLALUEMKR-UHFFFAOYSA-N
MW447.37 g/mol
LogP3.32
Rot. Bonds4

About 2-chloro-N-[1-[5-(3-chlorophenyl)pyrazolidine-3-carbonyl]piperidin-4-yl]benzamide

2-chloro-N-[1-[5-(3-chlorophenyl)pyrazolidine-3-carbonyl]piperidin-4-yl]benzamide (PubChem CID 75270685) has the molecular formula C22H24Cl2N4O2 and a molecular weight of 447.37 g/mol. Its IUPAC name is 2-chloro-N-[1-[5-(3-chlorophenyl)pyrazolidine-3-carbonyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-[5-(3-chlorophenyl)pyrazolidine-3-carbonyl]piperidin-4-yl]benzamide
PubChem CID75270685
Molecular FormulaC22H24Cl2N4O2
Molecular Weight447.37 g/mol
Exact Mass446.13
IUPAC Name2-chloro-N-[1-[5-(3-chlorophenyl)pyrazolidine-3-carbonyl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(C(=O)C2CC(c3cccc(Cl)c3)NN2)CC1)c1ccccc1Cl
InChIInChI=1S/C22H24Cl2N4O2/c23-15-5-3-4-14(12-15)19-13-20(27-26-19)22(30)28-10-8-16(9-11-28)25-21(29)17-6-1-2-7-18(17)24/h1-7,12,16,19-20,26-27H,8-11,13H2,(H,25,29)
InChIKeyCRYSEBLALUEMKR-UHFFFAOYSA-N
XLogP3.32
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.37
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[5-(3-chlorophenyl)pyrazolidine-3-carbonyl]piperidin-4-yl]-2-methoxybenzamide
CID 75270681
2-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide
CID 110819420
[5-(3-chlorophenyl)pyrazolidin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 75138331
2-chloro-N-[1-(cyclobutanecarbonyl)piperidin-4-yl]benzamide
CID 110822148
2,5-dichloro-N-[1-(2-chlorobenzoyl)piperidin-4-yl]benzamide
CID 108554581
[5-(3-chlorophenyl)pyrazolidin-3-yl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 75194487
N-benzyl-4-[5-(3-chlorophenyl)pyrazolidine-3-carbonyl]-N-methylpiperazine-1-carboxamide
CID 52989524
[5-(3-chlorophenyl)pyrazolidin-3-yl]-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
CID 75255128
N,5-bis(3-chlorophenyl)pyrazolidine-3-carboxamide
CID 75254883
5-(3-chlorophenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazolidine-3-carboxamide
CID 52989249
methyl 4-[(2-chlorobenzoyl)amino]piperidine-1-carboxylate
CID 47392418
N-(2-benzoylphenyl)-5-(3-chlorophenyl)pyrazolidine-3-carboxamide
CID 75254865

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[5-(3-chlorophenyl)pyrazolidine-3-carbonyl]piperidin-4-yl]benzamide?
The IUPAC name of 2-chloro-N-[1-[5-(3-chlorophenyl)pyrazolidine-3-carbonyl]piperidin-4-yl]benzamide (CID 75270685) is 2-chloro-N-[1-[5-(3-chlorophenyl)pyrazolidine-3-carbonyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[1-[5-(3-chlorophenyl)pyrazolidine-3-carbonyl]piperidin-4-yl]benzamide?
The canonical SMILES for 2-chloro-N-[1-[5-(3-chlorophenyl)pyrazolidine-3-carbonyl]piperidin-4-yl]benzamide is O=C(NC1CCN(C(=O)C2CC(c3cccc(Cl)c3)NN2)CC1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[1-[5-(3-chlorophenyl)pyrazolidine-3-carbonyl]piperidin-4-yl]benzamide?
The InChIKey is CRYSEBLALUEMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2N4O2/c23-15-5-3-4-14(12-15)19-13-20(27-26-19)22(30)28-10-8-16(9-11-28)25-21(29)17-6-1-2-7-18(17)24/h1-7,12,16,19-20,26-27H,8-11,13H2,(H,25,29).
What are the key properties of 2-chloro-N-[1-[5-(3-chlorophenyl)pyrazolidine-3-carbonyl]piperidin-4-yl]benzamide?
2-chloro-N-[1-[5-(3-chlorophenyl)pyrazolidine-3-carbonyl]piperidin-4-yl]benzamide has a molecular weight of 447.37 g/mol, XLogP of 3.32, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-[5-(3-chlorophenyl)pyrazolidine-3-carbonyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 75270685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).