2-(4-methoxyphenyl)-N-[(4S)-1-methyl-3-oxopyrazolidin-4-yl]spiro[3.3]heptane-2-carboxamide

C19H25N3O3 — CID 129352612

IUPAC2-(4-methoxyphenyl)-N-[(4S)-1-methyl-3-oxopyrazolidin-4-yl]spiro[3.3]heptane-2-carboxamide
SMILESCOc1ccc(C2(C(=O)N[C@H]3CN(C)NC3=O)CC3(CCC3)C2)cc1
InChIInChI=1S/C19H25N3O3/c1-22-10-15(16(23)21-22)20-17(24)19(11-18(12-19)8-3-9-18)13-4-6-14(25-2)7-5-13/h4-7,15H,3,8-12H2,1-2H3,(H,20,24)(H,21,23)/t15-/m0/s1
InChIKeyWDTWUFSANYRYFI-HNNXBMFYSA-N
MW343.43 g/mol
LogP1.36
Rot. Bonds4

About 2-(4-methoxyphenyl)-N-[(4S)-1-methyl-3-oxopyrazolidin-4-yl]spiro[3.3]heptane-2-carboxamide

2-(4-methoxyphenyl)-N-[(4S)-1-methyl-3-oxopyrazolidin-4-yl]spiro[3.3]heptane-2-carboxamide (PubChem CID 129352612) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[(4S)-1-methyl-3-oxopyrazolidin-4-yl]spiro[3.3]heptane-2-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[(4S)-1-methyl-3-oxopyrazolidin-4-yl]spiro[3.3]heptane-2-carboxamide
PubChem CID129352612
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name2-(4-methoxyphenyl)-N-[(4S)-1-methyl-3-oxopyrazolidin-4-yl]spiro[3.3]heptane-2-carboxamide
SMILESCOc1ccc(C2(C(=O)N[C@H]3CN(C)NC3=O)CC3(CCC3)C2)cc1
InChIInChI=1S/C19H25N3O3/c1-22-10-15(16(23)21-22)20-17(24)19(11-18(12-19)8-3-9-18)13-4-6-14(25-2)7-5-13/h4-7,15H,3,8-12H2,1-2H3,(H,20,24)(H,21,23)/t15-/m0/s1
InChIKeyWDTWUFSANYRYFI-HNNXBMFYSA-N
XLogP1.36
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-(1-methyl-3-oxopyrazolidin-4-yl)carbamate
CID 131091908
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N-cycloheptyl-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 113198451
1-(4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 53016794
4-(4-methoxyphenyl)-N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]oxane-4-carboxamide
CID 92613871
N-[(1R,2S)-2-aminocyclobutyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 133128043
(3S,4S)-1-[1-(4-methoxyphenyl)cyclobutanecarbonyl]-4-methylpyrrolidine-3-carboxylic acid
CID 122112624
N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-1-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 86949745
1-(4-methoxyphenyl)-N-[[(3R)-1-methylpiperidin-3-yl]methyl]cyclopentane-1-carboxamide
CID 95214855
N-[4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 133188335
N-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethoxy]phenyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 100668537
1-(4-methoxyphenyl)-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]cyclopropane-1-carboxamide
CID 95713073

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[(4S)-1-methyl-3-oxopyrazolidin-4-yl]spiro[3.3]heptane-2-carboxamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[(4S)-1-methyl-3-oxopyrazolidin-4-yl]spiro[3.3]heptane-2-carboxamide (CID 129352612) is 2-(4-methoxyphenyl)-N-[(4S)-1-methyl-3-oxopyrazolidin-4-yl]spiro[3.3]heptane-2-carboxamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[(4S)-1-methyl-3-oxopyrazolidin-4-yl]spiro[3.3]heptane-2-carboxamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[(4S)-1-methyl-3-oxopyrazolidin-4-yl]spiro[3.3]heptane-2-carboxamide is COc1ccc(C2(C(=O)N[C@H]3CN(C)NC3=O)CC3(CCC3)C2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[(4S)-1-methyl-3-oxopyrazolidin-4-yl]spiro[3.3]heptane-2-carboxamide?
The InChIKey is WDTWUFSANYRYFI-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-22-10-15(16(23)21-22)20-17(24)19(11-18(12-19)8-3-9-18)13-4-6-14(25-2)7-5-13/h4-7,15H,3,8-12H2,1-2H3,(H,20,24)(H,21,23)/t15-/m0/s1.
What are the key properties of 2-(4-methoxyphenyl)-N-[(4S)-1-methyl-3-oxopyrazolidin-4-yl]spiro[3.3]heptane-2-carboxamide?
2-(4-methoxyphenyl)-N-[(4S)-1-methyl-3-oxopyrazolidin-4-yl]spiro[3.3]heptane-2-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[(4S)-1-methyl-3-oxopyrazolidin-4-yl]spiro[3.3]heptane-2-carboxamide is sourced from PubChem (CID 129352612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).