4-methoxy-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-4-carboxamide

C18H25N3O3 — CID 119694528

IUPAC4-methoxy-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-4-carboxamide
SMILESCOC1(C(=O)NCc2ccc(N3CCCC3=O)cc2)CCNCC1
InChIInChI=1S/C18H25N3O3/c1-24-18(8-10-19-11-9-18)17(23)20-13-14-4-6-15(7-5-14)21-12-2-3-16(21)22/h4-7,19H,2-3,8-13H2,1H3,(H,20,23)
InChIKeyOBHORORUMXKCPS-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.20
Rot. Bonds5

About 4-methoxy-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-4-carboxamide

4-methoxy-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 119694528) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 4-methoxy-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-4-carboxamide
PubChem CID119694528
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name4-methoxy-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-4-carboxamide
SMILESCOC1(C(=O)NCc2ccc(N3CCCC3=O)cc2)CCNCC1
InChIInChI=1S/C18H25N3O3/c1-24-18(8-10-19-11-9-18)17(23)20-13-14-4-6-15(7-5-14)21-12-2-3-16(21)22/h4-7,19H,2-3,8-13H2,1H3,(H,20,23)
InChIKeyOBHORORUMXKCPS-UHFFFAOYSA-N
XLogP1.20
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 ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide;dihydrochloride
CID 119836245
4-(methoxymethyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120622513
4-methoxy-N-[(4-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119725285
4-methoxy-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide
CID 119716391
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 24551216
4-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589075
N-[[4-(4-fluorophenoxy)phenyl]methyl]-4-methoxypiperidine-4-carboxamide
CID 119696231
4-methoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119712888
2-methylsulfanyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 8589226
2-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 24622415
N-[(4-fluorophenyl)methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9270495
2-hydroxy-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]cyclopentane-1-carboxamide
CID 110013970

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 4-methoxy-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-4-carboxamide (CID 119694528) is 4-methoxy-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-methoxy-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 4-methoxy-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-4-carboxamide is COC1(C(=O)NCc2ccc(N3CCCC3=O)cc2)CCNCC1.
What is the InChIKey of 4-methoxy-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is OBHORORUMXKCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-24-18(8-10-19-11-9-18)17(23)20-13-14-4-6-15(7-5-14)21-12-2-3-16(21)22/h4-7,19H,2-3,8-13H2,1H3,(H,20,23).
What are the key properties of 4-methoxy-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-4-carboxamide?
4-methoxy-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 119694528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).