3,5-dimethyl-N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]benzamide

C23H30N4O — CID 134099116

IUPAC3,5-dimethyl-N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]benzamide
SMILESCc1cc(C)cc(C(=O)NC2CCN(C3CC(c4ccccc4)NN3)CC2)c1
InChIInChI=1S/C23H30N4O/c1-16-12-17(2)14-19(13-16)23(28)24-20-8-10-27(11-9-20)22-15-21(25-26-22)18-6-4-3-5-7-18/h3-7,12-14,20-22,25-26H,8-11,15H2,1-2H3,(H,24,28)
InChIKeyYYGDADKPUVKBGW-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.06
Rot. Bonds4

About 3,5-dimethyl-N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]benzamide

3,5-dimethyl-N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]benzamide (PubChem CID 134099116) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is 3,5-dimethyl-N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]benzamide
PubChem CID134099116
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC Name3,5-dimethyl-N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]benzamide
SMILESCc1cc(C)cc(C(=O)NC2CCN(C3CC(c4ccccc4)NN3)CC2)c1
InChIInChI=1S/C23H30N4O/c1-16-12-17(2)14-19(13-16)23(28)24-20-8-10-27(11-9-20)22-15-21(25-26-22)18-6-4-3-5-7-18/h3-7,12-14,20-22,25-26H,8-11,15H2,1-2H3,(H,24,28)
InChIKeyYYGDADKPUVKBGW-UHFFFAOYSA-N
XLogP3.06
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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
N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide
CID 134098863
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
N-[1-[5-(4-chlorophenyl)pyrazolidin-3-yl]piperidin-4-yl]-4-(dimethylamino)benzamide
CID 134098939
N-[1-[5-(4-fluorophenyl)pyrazolidin-3-yl]piperidin-4-yl]-2-phenylacetamide
CID 134099098
N-[1-[5-(4-fluorophenyl)pyrazolidin-3-yl]piperidin-4-yl]-4-methoxy-2-methylbenzamide
CID 134099047
5-chloro-N-[1-[5-(4-fluorophenyl)pyrazolidin-3-yl]piperidin-4-yl]-2-methoxybenzamide
CID 134099058
N-[4-[4-(5-phenylpyrazolidin-3-yl)piperazine-1-carbonyl]phenyl]acetamide
CID 134088257
[4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 75950261
3-methyl-N-(1-phenylpiperidin-4-yl)benzamide
CID 110735842

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]benzamide?
The IUPAC name of 3,5-dimethyl-N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]benzamide (CID 134099116) is 3,5-dimethyl-N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]benzamide.
What is the SMILES notation for 3,5-dimethyl-N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]benzamide?
The canonical SMILES for 3,5-dimethyl-N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]benzamide is Cc1cc(C)cc(C(=O)NC2CCN(C3CC(c4ccccc4)NN3)CC2)c1.
What is the InChIKey of 3,5-dimethyl-N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]benzamide?
The InChIKey is YYGDADKPUVKBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O/c1-16-12-17(2)14-19(13-16)23(28)24-20-8-10-27(11-9-20)22-15-21(25-26-22)18-6-4-3-5-7-18/h3-7,12-14,20-22,25-26H,8-11,15H2,1-2H3,(H,24,28).
What are the key properties of 3,5-dimethyl-N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]benzamide?
3,5-dimethyl-N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]benzamide has a molecular weight of 378.52 g/mol, XLogP of 3.06, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]benzamide is sourced from PubChem (CID 134099116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).