N-[1-[5-(4-chlorophenyl)pyrazolidin-3-yl]piperidin-4-yl]-4-(dimethylamino)benzamide

C23H30ClN5O — CID 134098939

IUPACN-[1-[5-(4-chlorophenyl)pyrazolidin-3-yl]piperidin-4-yl]-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)NC2CCN(C3CC(c4ccc(Cl)cc4)NN3)CC2)cc1
InChIInChI=1S/C23H30ClN5O/c1-28(2)20-9-5-17(6-10-20)23(30)25-19-11-13-29(14-12-19)22-15-21(26-27-22)16-3-7-18(24)8-4-16/h3-10,19,21-22,26-27H,11-15H2,1-2H3,(H,25,30)
InChIKeyCTFYKPAAPAKUME-UHFFFAOYSA-N
MW427.98 g/mol
LogP3.17
Rot. Bonds5

About N-[1-[5-(4-chlorophenyl)pyrazolidin-3-yl]piperidin-4-yl]-4-(dimethylamino)benzamide

N-[1-[5-(4-chlorophenyl)pyrazolidin-3-yl]piperidin-4-yl]-4-(dimethylamino)benzamide (PubChem CID 134098939) has the molecular formula C23H30ClN5O and a molecular weight of 427.98 g/mol. Its IUPAC name is N-[1-[5-(4-chlorophenyl)pyrazolidin-3-yl]piperidin-4-yl]-4-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-[1-[5-(4-chlorophenyl)pyrazolidin-3-yl]piperidin-4-yl]-4-(dimethylamino)benzamide
PubChem CID134098939
Molecular FormulaC23H30ClN5O
Molecular Weight427.98 g/mol
Exact Mass427.21
IUPAC NameN-[1-[5-(4-chlorophenyl)pyrazolidin-3-yl]piperidin-4-yl]-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)NC2CCN(C3CC(c4ccc(Cl)cc4)NN3)CC2)cc1
InChIInChI=1S/C23H30ClN5O/c1-28(2)20-9-5-17(6-10-20)23(30)25-19-11-13-29(14-12-19)22-15-21(26-27-22)16-3-7-18(24)8-4-16/h3-10,19,21-22,26-27H,11-15H2,1-2H3,(H,25,30)
InChIKeyCTFYKPAAPAKUME-UHFFFAOYSA-N
XLogP3.17
TPSA59.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.98
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethyl-N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]benzamide
CID 134099116
5-chloro-N-[1-[5-(4-fluorophenyl)pyrazolidin-3-yl]piperidin-4-yl]-2-methoxybenzamide
CID 134099058
3,5-dimethoxy-N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]benzamide
CID 134098869
3-methoxy-N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]benzamide
CID 134099115
[4-[5-(4-chlorophenyl)pyrazolidin-3-yl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 134088288
N-[(3R)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-4-(dimethylamino)benzamide
CID 99741297
(4-chlorophenyl)-[4-[5-(4-fluorophenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone
CID 134088334
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
4-(dimethylamino)-N-(1-phenylpiperidin-4-yl)benzamide
CID 110745886
2,5-dichloro-N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]benzamide
CID 108554641
4-chloro-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 32542302

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(4-chlorophenyl)pyrazolidin-3-yl]piperidin-4-yl]-4-(dimethylamino)benzamide?
The IUPAC name of N-[1-[5-(4-chlorophenyl)pyrazolidin-3-yl]piperidin-4-yl]-4-(dimethylamino)benzamide (CID 134098939) is N-[1-[5-(4-chlorophenyl)pyrazolidin-3-yl]piperidin-4-yl]-4-(dimethylamino)benzamide.
What is the SMILES notation for N-[1-[5-(4-chlorophenyl)pyrazolidin-3-yl]piperidin-4-yl]-4-(dimethylamino)benzamide?
The canonical SMILES for N-[1-[5-(4-chlorophenyl)pyrazolidin-3-yl]piperidin-4-yl]-4-(dimethylamino)benzamide is CN(C)c1ccc(C(=O)NC2CCN(C3CC(c4ccc(Cl)cc4)NN3)CC2)cc1.
What is the InChIKey of N-[1-[5-(4-chlorophenyl)pyrazolidin-3-yl]piperidin-4-yl]-4-(dimethylamino)benzamide?
The InChIKey is CTFYKPAAPAKUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClN5O/c1-28(2)20-9-5-17(6-10-20)23(30)25-19-11-13-29(14-12-19)22-15-21(26-27-22)16-3-7-18(24)8-4-16/h3-10,19,21-22,26-27H,11-15H2,1-2H3,(H,25,30).
What are the key properties of N-[1-[5-(4-chlorophenyl)pyrazolidin-3-yl]piperidin-4-yl]-4-(dimethylamino)benzamide?
N-[1-[5-(4-chlorophenyl)pyrazolidin-3-yl]piperidin-4-yl]-4-(dimethylamino)benzamide has a molecular weight of 427.98 g/mol, XLogP of 3.17, 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-chlorophenyl)pyrazolidin-3-yl]piperidin-4-yl]-4-(dimethylamino)benzamide is sourced from PubChem (CID 134098939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).