1-(4-methoxyphenyl)-5-oxo-N-(piperidin-4-ylmethyl)pyrrolidine-3-carboxamide

C18H25N3O3 — CID 122174403

IUPAC1-(4-methoxyphenyl)-5-oxo-N-(piperidin-4-ylmethyl)pyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)NCC3CCNCC3)CC2=O)cc1
InChIInChI=1S/C18H25N3O3/c1-24-16-4-2-15(3-5-16)21-12-14(10-17(21)22)18(23)20-11-13-6-8-19-9-7-13/h2-5,13-14,19H,6-12H2,1H3,(H,20,23)
InChIKeyRUVMGGCXMOSPGL-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.16
Rot. Bonds5

About 1-(4-methoxyphenyl)-5-oxo-N-(piperidin-4-ylmethyl)pyrrolidine-3-carboxamide

1-(4-methoxyphenyl)-5-oxo-N-(piperidin-4-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 122174403) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-5-oxo-N-(piperidin-4-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-5-oxo-N-(piperidin-4-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID122174403
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name1-(4-methoxyphenyl)-5-oxo-N-(piperidin-4-ylmethyl)pyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)NCC3CCNCC3)CC2=O)cc1
InChIInChI=1S/C18H25N3O3/c1-24-16-4-2-15(3-5-16)21-12-14(10-17(21)22)18(23)20-11-13-6-8-19-9-7-13/h2-5,13-14,19H,6-12H2,1H3,(H,20,23)
InChIKeyRUVMGGCXMOSPGL-UHFFFAOYSA-N
XLogP1.16
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-ethyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 673036
N-(cyclohex-3-en-1-ylmethyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 48874740
N-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]cyclopentanecarboxamide
CID 16918345
N-(2-aminoethyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42652621
N-[2-(4-methoxyphenoxy)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108785674
N-(3-aminopropyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108785660
N-benzyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2964408
N-[(2R)-2-(ethylamino)propyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 120650711
N-(3-aminopropyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119408774
ethyl 2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetate
CID 17309359
(3S)-1-(4-hydroxyphenyl)-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 7248206
3-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2,2-dimethylpropanoic acid
CID 119249977

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-5-oxo-N-(piperidin-4-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)-5-oxo-N-(piperidin-4-ylmethyl)pyrrolidine-3-carboxamide (CID 122174403) is 1-(4-methoxyphenyl)-5-oxo-N-(piperidin-4-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)-5-oxo-N-(piperidin-4-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)-5-oxo-N-(piperidin-4-ylmethyl)pyrrolidine-3-carboxamide is COc1ccc(N2CC(C(=O)NCC3CCNCC3)CC2=O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-5-oxo-N-(piperidin-4-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is RUVMGGCXMOSPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-24-16-4-2-15(3-5-16)21-12-14(10-17(21)22)18(23)20-11-13-6-8-19-9-7-13/h2-5,13-14,19H,6-12H2,1H3,(H,20,23).
What are the key properties of 1-(4-methoxyphenyl)-5-oxo-N-(piperidin-4-ylmethyl)pyrrolidine-3-carboxamide?
1-(4-methoxyphenyl)-5-oxo-N-(piperidin-4-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-5-oxo-N-(piperidin-4-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 122174403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).