1-tert-butyl-4-[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidine-1-carbonyl]pyrrolidin-2-one

C21H35N5O2 — CID 110092565

IUPAC1-tert-butyl-4-[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCN(C)Cc1cc(C2CCN(C(=O)C3CC(=O)N(C(C)(C)C)C3)CC2)nn1C
InChIInChI=1S/C21H35N5O2/c1-21(2,3)26-13-16(11-19(26)27)20(28)25-9-7-15(8-10-25)18-12-17(14-23(4)5)24(6)22-18/h12,15-16H,7-11,13-14H2,1-6H3
InChIKeyYRWPJDPKIJIOCZ-UHFFFAOYSA-N
MW389.54 g/mol
LogP1.83
Rot. Bonds4

About 1-tert-butyl-4-[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidine-1-carbonyl]pyrrolidin-2-one

1-tert-butyl-4-[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 110092565) has the molecular formula C21H35N5O2 and a molecular weight of 389.54 g/mol. Its IUPAC name is 1-tert-butyl-4-[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-tert-butyl-4-[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID110092565
Molecular FormulaC21H35N5O2
Molecular Weight389.54 g/mol
Exact Mass389.28
IUPAC Name1-tert-butyl-4-[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCN(C)Cc1cc(C2CCN(C(=O)C3CC(=O)N(C(C)(C)C)C3)CC2)nn1C
InChIInChI=1S/C21H35N5O2/c1-21(2,3)26-13-16(11-19(26)27)20(28)25-9-7-15(8-10-25)18-12-17(14-23(4)5)24(6)22-18/h12,15-16H,7-11,13-14H2,1-6H3
InChIKeyYRWPJDPKIJIOCZ-UHFFFAOYSA-N
XLogP1.83
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-tert-butyl-4-[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidine-1-carbonyl]pyrrolidin-2-one (CID 110092565) is 1-tert-butyl-4-[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-tert-butyl-4-[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-tert-butyl-4-[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidine-1-carbonyl]pyrrolidin-2-one is CN(C)Cc1cc(C2CCN(C(=O)C3CC(=O)N(C(C)(C)C)C3)CC2)nn1C.
What is the InChIKey of 1-tert-butyl-4-[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is YRWPJDPKIJIOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N5O2/c1-21(2,3)26-13-16(11-19(26)27)20(28)25-9-7-15(8-10-25)18-12-17(14-23(4)5)24(6)22-18/h12,15-16H,7-11,13-14H2,1-6H3.
What are the key properties of 1-tert-butyl-4-[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidine-1-carbonyl]pyrrolidin-2-one?
1-tert-butyl-4-[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 389.54 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 110092565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).