1-[2-[1-(1-methyl-5-phenylpyrrole-2-carbonyl)piperidin-4-yl]ethyl]pyrrolidin-2-one

C23H29N3O2 — CID 72901999

IUPAC1-[2-[1-(1-methyl-5-phenylpyrrole-2-carbonyl)piperidin-4-yl]ethyl]pyrrolidin-2-one
SMILESCn1c(C(=O)N2CCC(CCN3CCCC3=O)CC2)ccc1-c1ccccc1
InChIInChI=1S/C23H29N3O2/c1-24-20(19-6-3-2-4-7-19)9-10-21(24)23(28)26-16-12-18(13-17-26)11-15-25-14-5-8-22(25)27/h2-4,6-7,9-10,18H,5,8,11-17H2,1H3
InChIKeyDTZFAWWLWZKSKA-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.56
Rot. Bonds5

About 1-[2-[1-(1-methyl-5-phenylpyrrole-2-carbonyl)piperidin-4-yl]ethyl]pyrrolidin-2-one

1-[2-[1-(1-methyl-5-phenylpyrrole-2-carbonyl)piperidin-4-yl]ethyl]pyrrolidin-2-one (PubChem CID 72901999) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 1-[2-[1-(1-methyl-5-phenylpyrrole-2-carbonyl)piperidin-4-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[1-(1-methyl-5-phenylpyrrole-2-carbonyl)piperidin-4-yl]ethyl]pyrrolidin-2-one
PubChem CID72901999
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name1-[2-[1-(1-methyl-5-phenylpyrrole-2-carbonyl)piperidin-4-yl]ethyl]pyrrolidin-2-one
SMILESCn1c(C(=O)N2CCC(CCN3CCCC3=O)CC2)ccc1-c1ccccc1
InChIInChI=1S/C23H29N3O2/c1-24-20(19-6-3-2-4-7-19)9-10-21(24)23(28)26-16-12-18(13-17-26)11-15-25-14-5-8-22(25)27/h2-4,6-7,9-10,18H,5,8,11-17H2,1H3
InChIKeyDTZFAWWLWZKSKA-UHFFFAOYSA-N
XLogP3.56
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[1-(4-methyl-2-phenylpyrimidine-5-carbonyl)piperidin-4-yl]ethyl]pyrrolidin-2-one
CID 72939622
1-(1-methyl-5-phenylpyrrole-2-carbonyl)piperidine-4-carboxylic acid
CID 119166422
1-[2-[1-[(2R)-2-amino-2-phenylacetyl]piperidin-4-yl]ethyl]pyrrolidin-2-one;hydrochloride
CID 154896608
1-[2-[1-(5-fluoro-1-methylindole-2-carbonyl)piperidin-4-yl]ethyl]pyrrolidin-2-one
CID 70762197
1-[2-[1-[(2S)-2-hydroxy-3-phenylpropanoyl]piperidin-4-yl]ethyl]pyrrolidin-2-one
CID 70784494
[(3R)-3-(methylaminomethyl)piperidin-1-yl]-(1-methyl-5-phenylpyrrol-2-yl)methanone
CID 124684688
1-[2-[1-(2-fluoro-6-methoxybenzoyl)piperidin-4-yl]ethyl]pyrrolidin-2-one
CID 70748094
1-[[1-(3-methyl-5-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]methyl]piperidin-2-one
CID 126791219
1-[3-oxo-3-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]propyl]pyrimidine-2,4-dione
CID 86283997
6-methyl-2-oxo-5-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carbonyl]-1H-pyridine-3-carbonitrile
CID 70747234
1-[[(3S,3aR,7aR)-5-(1-methylpyrrole-2-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]pyrrolidin-2-one
CID 133142680
1-[2-[1-[2-(3-chlorophenyl)-2-hydroxyacetyl]piperidin-4-yl]ethyl]pyrrolidin-2-one
CID 70752183

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(1-methyl-5-phenylpyrrole-2-carbonyl)piperidin-4-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[1-(1-methyl-5-phenylpyrrole-2-carbonyl)piperidin-4-yl]ethyl]pyrrolidin-2-one (CID 72901999) is 1-[2-[1-(1-methyl-5-phenylpyrrole-2-carbonyl)piperidin-4-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[1-(1-methyl-5-phenylpyrrole-2-carbonyl)piperidin-4-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[1-(1-methyl-5-phenylpyrrole-2-carbonyl)piperidin-4-yl]ethyl]pyrrolidin-2-one is Cn1c(C(=O)N2CCC(CCN3CCCC3=O)CC2)ccc1-c1ccccc1.
What is the InChIKey of 1-[2-[1-(1-methyl-5-phenylpyrrole-2-carbonyl)piperidin-4-yl]ethyl]pyrrolidin-2-one?
The InChIKey is DTZFAWWLWZKSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-24-20(19-6-3-2-4-7-19)9-10-21(24)23(28)26-16-12-18(13-17-26)11-15-25-14-5-8-22(25)27/h2-4,6-7,9-10,18H,5,8,11-17H2,1H3.
What are the key properties of 1-[2-[1-(1-methyl-5-phenylpyrrole-2-carbonyl)piperidin-4-yl]ethyl]pyrrolidin-2-one?
1-[2-[1-(1-methyl-5-phenylpyrrole-2-carbonyl)piperidin-4-yl]ethyl]pyrrolidin-2-one has a molecular weight of 379.50 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(1-methyl-5-phenylpyrrole-2-carbonyl)piperidin-4-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 72901999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).