N-tert-butyl-N-[(3-fluorophenyl)methyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazin-1-yl]acetamide

C23H33FN4O3 — CID 78900758

IUPACN-tert-butyl-N-[(3-fluorophenyl)methyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazin-1-yl]acetamide
SMILESCC(C)(C)N(Cc1cccc(F)c1)C(=O)CN1CCN(C(=O)C(=O)N2CCCC2)CC1
InChIInChI=1S/C23H33FN4O3/c1-23(2,3)28(16-18-7-6-8-19(24)15-18)20(29)17-25-11-13-27(14-12-25)22(31)21(30)26-9-4-5-10-26/h6-8,15H,4-5,9-14,16-17H2,1-3H3
InChIKeyNBHCBVQYIQLWDF-UHFFFAOYSA-N
MW432.54 g/mol
LogP1.72
Rot. Bonds4

About N-tert-butyl-N-[(3-fluorophenyl)methyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazin-1-yl]acetamide

N-tert-butyl-N-[(3-fluorophenyl)methyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazin-1-yl]acetamide (PubChem CID 78900758) has the molecular formula C23H33FN4O3 and a molecular weight of 432.54 g/mol. Its IUPAC name is N-tert-butyl-N-[(3-fluorophenyl)methyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-N-[(3-fluorophenyl)methyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazin-1-yl]acetamide
PubChem CID78900758
Molecular FormulaC23H33FN4O3
Molecular Weight432.54 g/mol
Exact Mass432.25
IUPAC NameN-tert-butyl-N-[(3-fluorophenyl)methyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazin-1-yl]acetamide
SMILESCC(C)(C)N(Cc1cccc(F)c1)C(=O)CN1CCN(C(=O)C(=O)N2CCCC2)CC1
InChIInChI=1S/C23H33FN4O3/c1-23(2,3)28(16-18-7-6-8-19(24)15-18)20(29)17-25-11-13-27(14-12-25)22(31)21(30)26-9-4-5-10-26/h6-8,15H,4-5,9-14,16-17H2,1-3H3
InChIKeyNBHCBVQYIQLWDF-UHFFFAOYSA-N
XLogP1.72
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.54
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-N-[(3-fluorophenyl)methyl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 71925965
N-tert-butyl-N-[(3-fluorophenyl)methyl]-2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 97070769
N-tert-butyl-N-[(3-fluorophenyl)methyl]-2-(2-methylmorpholin-4-yl)acetamide
CID 60507641
N-tert-butyl-2-[4-(2-cyano-3-fluorophenyl)piperazin-1-yl]-N-[(3-fluorophenyl)methyl]acetamide
CID 60508995
N-tert-butyl-2-ethylsulfonyl-N-[(3-fluorophenyl)methyl]acetamide
CID 71916976
2-(3-fluorophenyl)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone
CID 9118318
1-[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 8530730
2-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 60585129
N-benzyl-N-tert-butyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]acetamide
CID 33079907
2-[[2-[tert-butyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]-methylamino]propanoic acid
CID 119913499
N-[2-[4-[2-(diethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 55830425
1-(azepan-1-yl)-2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]ethanone
CID 60502254

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-[(3-fluorophenyl)methyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazin-1-yl]acetamide?
The IUPAC name of N-tert-butyl-N-[(3-fluorophenyl)methyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazin-1-yl]acetamide (CID 78900758) is N-tert-butyl-N-[(3-fluorophenyl)methyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-tert-butyl-N-[(3-fluorophenyl)methyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-tert-butyl-N-[(3-fluorophenyl)methyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazin-1-yl]acetamide is CC(C)(C)N(Cc1cccc(F)c1)C(=O)CN1CCN(C(=O)C(=O)N2CCCC2)CC1.
What is the InChIKey of N-tert-butyl-N-[(3-fluorophenyl)methyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazin-1-yl]acetamide?
The InChIKey is NBHCBVQYIQLWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33FN4O3/c1-23(2,3)28(16-18-7-6-8-19(24)15-18)20(29)17-25-11-13-27(14-12-25)22(31)21(30)26-9-4-5-10-26/h6-8,15H,4-5,9-14,16-17H2,1-3H3.
What are the key properties of N-tert-butyl-N-[(3-fluorophenyl)methyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazin-1-yl]acetamide?
N-tert-butyl-N-[(3-fluorophenyl)methyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazin-1-yl]acetamide has a molecular weight of 432.54 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-[(3-fluorophenyl)methyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 78900758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).