N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-4-imidazol-1-ylpiperidine-1-carboxamide

C17H27N5O2 — CID 71976424

IUPACN-(1-tert-butyl-5-oxopyrrolidin-3-yl)-4-imidazol-1-ylpiperidine-1-carboxamide
SMILESCC(C)(C)N1CC(NC(=O)N2CCC(n3ccnc3)CC2)CC1=O
InChIInChI=1S/C17H27N5O2/c1-17(2,3)22-11-13(10-15(22)23)19-16(24)20-7-4-14(5-8-20)21-9-6-18-12-21/h6,9,12-14H,4-5,7-8,10-11H2,1-3H3,(H,19,24)
InChIKeyOAEJEHSJYWTFEV-UHFFFAOYSA-N
MW333.44 g/mol
LogP1.63
Rot. Bonds2

About N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-4-imidazol-1-ylpiperidine-1-carboxamide

N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-4-imidazol-1-ylpiperidine-1-carboxamide (PubChem CID 71976424) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-4-imidazol-1-ylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-tert-butyl-5-oxopyrrolidin-3-yl)-4-imidazol-1-ylpiperidine-1-carboxamide
PubChem CID71976424
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC NameN-(1-tert-butyl-5-oxopyrrolidin-3-yl)-4-imidazol-1-ylpiperidine-1-carboxamide
SMILESCC(C)(C)N1CC(NC(=O)N2CCC(n3ccnc3)CC2)CC1=O
InChIInChI=1S/C17H27N5O2/c1-17(2,3)22-11-13(10-15(22)23)19-16(24)20-7-4-14(5-8-20)21-9-6-18-12-21/h6,9,12-14H,4-5,7-8,10-11H2,1-3H3,(H,19,24)
InChIKeyOAEJEHSJYWTFEV-UHFFFAOYSA-N
XLogP1.63
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-4-imidazol-1-ylpiperidine-1-carboxamide?
The IUPAC name of N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-4-imidazol-1-ylpiperidine-1-carboxamide (CID 71976424) is N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-4-imidazol-1-ylpiperidine-1-carboxamide.
What is the SMILES notation for N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-4-imidazol-1-ylpiperidine-1-carboxamide?
The canonical SMILES for N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-4-imidazol-1-ylpiperidine-1-carboxamide is CC(C)(C)N1CC(NC(=O)N2CCC(n3ccnc3)CC2)CC1=O.
What is the InChIKey of N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-4-imidazol-1-ylpiperidine-1-carboxamide?
The InChIKey is OAEJEHSJYWTFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-17(2,3)22-11-13(10-15(22)23)19-16(24)20-7-4-14(5-8-20)21-9-6-18-12-21/h6,9,12-14H,4-5,7-8,10-11H2,1-3H3,(H,19,24).
What are the key properties of N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-4-imidazol-1-ylpiperidine-1-carboxamide?
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-4-imidazol-1-ylpiperidine-1-carboxamide has a molecular weight of 333.44 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-4-imidazol-1-ylpiperidine-1-carboxamide is sourced from PubChem (CID 71976424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).