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

C22H28N4O2 — CID 134099115

IUPAC3-methoxy-N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]benzamide
SMILESCOc1cccc(C(=O)NC2CCN(C3CC(c4ccccc4)NN3)CC2)c1
InChIInChI=1S/C22H28N4O2/c1-28-19-9-5-8-17(14-19)22(27)23-18-10-12-26(13-11-18)21-15-20(24-25-21)16-6-3-2-4-7-16/h2-9,14,18,20-21,24-25H,10-13,15H2,1H3,(H,23,27)
InChIKeyLDCJBOLRKFDHNB-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.45
Rot. Bonds5

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

3-methoxy-N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]benzamide (PubChem CID 134099115) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 3-methoxy-N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]benzamide
PubChem CID134099115
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name3-methoxy-N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]benzamide
SMILESCOc1cccc(C(=O)NC2CCN(C3CC(c4ccccc4)NN3)CC2)c1
InChIInChI=1S/C22H28N4O2/c1-28-19-9-5-8-17(14-19)22(27)23-18-10-12-26(13-11-18)21-15-20(24-25-21)16-6-3-2-4-7-16/h2-9,14,18,20-21,24-25H,10-13,15H2,1H3,(H,23,27)
InChIKeyLDCJBOLRKFDHNB-UHFFFAOYSA-N
XLogP2.45
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethoxy-N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]benzamide
CID 134098869
3,5-dimethyl-N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]benzamide
CID 134099116
N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide
CID 134098863
N-[1-[5-(4-fluorophenyl)pyrazolidin-3-yl]piperidin-4-yl]-4-methoxy-2-methylbenzamide
CID 134099047
N-cyclopropyl-3-methoxybenzamide
CID 900156
2,4-difluoro-N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]benzamide
CID 134098903
3,5-dimethoxy-N-(5-phenylpyrazolidin-3-yl)benzamide
CID 85498679
4-[(3-methoxybenzoyl)amino]-N-phenylpiperidine-1-carboxamide
CID 43814029
[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]-phenylmethanone
CID 134098789
3-methoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
CID 75528481
3-methoxy-N-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]benzamide
CID 75494317
3-hydroxy-N-[1-(3-methoxybenzoyl)piperidin-4-yl]benzamide
CID 108558264

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]benzamide?
The IUPAC name of 3-methoxy-N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]benzamide (CID 134099115) is 3-methoxy-N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]benzamide.
What is the SMILES notation for 3-methoxy-N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]benzamide?
The canonical SMILES for 3-methoxy-N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]benzamide is COc1cccc(C(=O)NC2CCN(C3CC(c4ccccc4)NN3)CC2)c1.
What is the InChIKey of 3-methoxy-N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]benzamide?
The InChIKey is LDCJBOLRKFDHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-28-19-9-5-8-17(14-19)22(27)23-18-10-12-26(13-11-18)21-15-20(24-25-21)16-6-3-2-4-7-16/h2-9,14,18,20-21,24-25H,10-13,15H2,1H3,(H,23,27).
What are the key properties of 3-methoxy-N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]benzamide?
3-methoxy-N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]benzamide has a molecular weight of 380.49 g/mol, XLogP of 2.45, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]benzamide is sourced from PubChem (CID 134099115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).