N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide

C20H27N3O3 — CID 131903203

IUPACN-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide
SMILESC=CCN1CC(C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)CC1=O
InChIInChI=1S/C20H27N3O3/c1-3-10-23-14-15(13-19(23)24)20(25)21-16-4-6-17(7-5-16)26-18-8-11-22(2)12-9-18/h3-7,15,18H,1,8-14H2,2H3,(H,21,25)
InChIKeyQAWNHJLLBKIHRZ-UHFFFAOYSA-N
MW357.45 g/mol
LogP2.13
Rot. Bonds6

About N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide

N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide (PubChem CID 131903203) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide
PubChem CID131903203
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC NameN-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide
SMILESC=CCN1CC(C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)CC1=O
InChIInChI=1S/C20H27N3O3/c1-3-10-23-14-15(13-19(23)24)20(25)21-16-4-6-17(7-5-16)26-18-8-11-22(2)12-9-18/h3-7,15,18H,1,8-14H2,2H3,(H,21,25)
InChIKeyQAWNHJLLBKIHRZ-UHFFFAOYSA-N
XLogP2.13
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-prop-2-enyl-4-(4-pyridin-4-yloxypiperidine-1-carbonyl)pyrrolidin-2-one
CID 50972094
(3R)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 95119187
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide
CID 131900696
N-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46109700
cis-(1S,2R)-2-N-tert-butyl-1-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]cyclohexane-1,2-dicarboxamide
CID 131920797
(3S)-5-oxo-1-propan-2-yl-N-(4-prop-2-enoxyphenyl)pyrrolidine-3-carboxamide
CID 7256139
(3R)-1-ethyl-5-oxo-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 94183042
N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-4-[methylsulfonyl(prop-2-enyl)amino]benzamide
CID 99971328
N-[2-chloro-5-(propanoylamino)phenyl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide
CID 171686508
methyl N-[4-(2-oxo-1-prop-2-enylpyrrolidin-3-yl)oxyphenyl]carbamate
CID 119040569
1-(3-methylbutyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 113185639
5-oxo-1-pentyl-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 113185733

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide?
The IUPAC name of N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide (CID 131903203) is N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide is C=CCN1CC(C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)CC1=O.
What is the InChIKey of N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide?
The InChIKey is QAWNHJLLBKIHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-3-10-23-14-15(13-19(23)24)20(25)21-16-4-6-17(7-5-16)26-18-8-11-22(2)12-9-18/h3-7,15,18H,1,8-14H2,2H3,(H,21,25).
What are the key properties of N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide?
N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide has a molecular weight of 357.45 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide is sourced from PubChem (CID 131903203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).