N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide

C22H26N4O3 — CID 134098863

IUPACN-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(NC1CCN(C2CC(c3ccccc3)NN2)CC1)c1ccc2c(c1)OCO2
InChIInChI=1S/C22H26N4O3/c27-22(16-6-7-19-20(12-16)29-14-28-19)23-17-8-10-26(11-9-17)21-13-18(24-25-21)15-4-2-1-3-5-15/h1-7,12,17-18,21,24-25H,8-11,13-14H2,(H,23,27)
InChIKeyBDOBNNVQYATEMV-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.17
Rot. Bonds4

About N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide

N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide (PubChem CID 134098863) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide
PubChem CID134098863
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC NameN-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(NC1CCN(C2CC(c3ccccc3)NN2)CC1)c1ccc2c(c1)OCO2
InChIInChI=1S/C22H26N4O3/c27-22(16-6-7-19-20(12-16)29-14-28-19)23-17-8-10-26(11-9-17)21-13-18(24-25-21)15-4-2-1-3-5-15/h1-7,12,17-18,21,24-25H,8-11,13-14H2,(H,23,27)
InChIKeyBDOBNNVQYATEMV-UHFFFAOYSA-N
XLogP2.17
TPSA74.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-benzodioxol-5-yl-[4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]methanone
CID 75950258
3,5-dimethyl-N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]benzamide
CID 134099116
3-methoxy-N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]benzamide
CID 134099115
3,5-dimethoxy-N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]benzamide
CID 134098869
2,4-difluoro-N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]benzamide
CID 134098903
2-[4-(1,3-benzodioxole-5-carbonylamino)piperidine-1-carbonyl]benzoic acid
CID 113083315
N-(1-propan-2-ylpiperidin-4-yl)-1,3-benzodioxole-5-carboxamide
CID 51194544
N-[1-[5-(4-fluorophenyl)pyrazolidin-3-yl]piperidin-4-yl]-2-phenylacetamide
CID 134099098
N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide
CID 108557309
N-[(3R)-pyrrolidin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 71645351
methyl 4-(1,3-benzodioxole-5-carbonylamino)piperidine-1-carboxylate
CID 110821823
N-(8-azabicyclo[3.2.1]octan-3-yl)-1,3-benzodioxole-5-carboxamide
CID 61238980

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide (CID 134098863) is N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide is O=C(NC1CCN(C2CC(c3ccccc3)NN2)CC1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is BDOBNNVQYATEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c27-22(16-6-7-19-20(12-16)29-14-28-19)23-17-8-10-26(11-9-17)21-13-18(24-25-21)15-4-2-1-3-5-15/h1-7,12,17-18,21,24-25H,8-11,13-14H2,(H,23,27).
What are the key properties of N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide?
N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 2.17, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 134098863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).