4-[1-(tert-butylcarbamoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide

C16H30N4O2 — CID 91910237

IUPAC4-[1-(tert-butylcarbamoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide
SMILESCNC(=O)N1CCC(C2CCN(C(=O)NC(C)(C)C)C2)CC1
InChIInChI=1S/C16H30N4O2/c1-16(2,3)18-15(22)20-10-7-13(11-20)12-5-8-19(9-6-12)14(21)17-4/h12-13H,5-11H2,1-4H3,(H,17,21)(H,18,22)
InChIKeyQQXLYRBBNZNUJC-UHFFFAOYSA-N
MW310.44 g/mol
LogP1.87
Rot. Bonds1

About 4-[1-(tert-butylcarbamoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide

4-[1-(tert-butylcarbamoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide (PubChem CID 91910237) has the molecular formula C16H30N4O2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 4-[1-(tert-butylcarbamoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[1-(tert-butylcarbamoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide
PubChem CID91910237
Molecular FormulaC16H30N4O2
Molecular Weight310.44 g/mol
Exact Mass310.24
IUPAC Name4-[1-(tert-butylcarbamoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide
SMILESCNC(=O)N1CCC(C2CCN(C(=O)NC(C)(C)C)C2)CC1
InChIInChI=1S/C16H30N4O2/c1-16(2,3)18-15(22)20-10-7-13(11-20)12-5-8-19(9-6-12)14(21)17-4/h12-13H,5-11H2,1-4H3,(H,17,21)(H,18,22)
InChIKeyQQXLYRBBNZNUJC-UHFFFAOYSA-N
XLogP1.87
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(tert-butylcarbamoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide?
The IUPAC name of 4-[1-(tert-butylcarbamoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide (CID 91910237) is 4-[1-(tert-butylcarbamoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[1-(tert-butylcarbamoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide?
The canonical SMILES for 4-[1-(tert-butylcarbamoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide is CNC(=O)N1CCC(C2CCN(C(=O)NC(C)(C)C)C2)CC1.
What is the InChIKey of 4-[1-(tert-butylcarbamoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide?
The InChIKey is QQXLYRBBNZNUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O2/c1-16(2,3)18-15(22)20-10-7-13(11-20)12-5-8-19(9-6-12)14(21)17-4/h12-13H,5-11H2,1-4H3,(H,17,21)(H,18,22).
What are the key properties of 4-[1-(tert-butylcarbamoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide?
4-[1-(tert-butylcarbamoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide has a molecular weight of 310.44 g/mol, XLogP of 1.87, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(tert-butylcarbamoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide is sourced from PubChem (CID 91910237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).