[1-(1-tert-butylpyrrolidine-2-carbonyl)pyrrolidin-2-yl]-[2-(2-methylpropyl)pyrrolidin-1-yl]methanone

C22H39N3O2 — CID 176781648

IUPAC[1-(1-tert-butylpyrrolidine-2-carbonyl)pyrrolidin-2-yl]-[2-(2-methylpropyl)pyrrolidin-1-yl]methanone
SMILESCC(C)CC1CCCN1C(=O)C1CCCN1C(=O)C1CCCN1C(C)(C)C
InChIInChI=1S/C22H39N3O2/c1-16(2)15-17-9-6-12-23(17)20(26)18-10-7-13-24(18)21(27)19-11-8-14-25(19)22(3,4)5/h16-19H,6-15H2,1-5H3
InChIKeyWRGUGGLDPSCNSB-UHFFFAOYSA-N
MW377.57 g/mol
LogP3.28
Rot. Bonds4

About [1-(1-tert-butylpyrrolidine-2-carbonyl)pyrrolidin-2-yl]-[2-(2-methylpropyl)pyrrolidin-1-yl]methanone

[1-(1-tert-butylpyrrolidine-2-carbonyl)pyrrolidin-2-yl]-[2-(2-methylpropyl)pyrrolidin-1-yl]methanone (PubChem CID 176781648) has the molecular formula C22H39N3O2 and a molecular weight of 377.57 g/mol. Its IUPAC name is [1-(1-tert-butylpyrrolidine-2-carbonyl)pyrrolidin-2-yl]-[2-(2-methylpropyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(1-tert-butylpyrrolidine-2-carbonyl)pyrrolidin-2-yl]-[2-(2-methylpropyl)pyrrolidin-1-yl]methanone
PubChem CID176781648
Molecular FormulaC22H39N3O2
Molecular Weight377.57 g/mol
Exact Mass377.30
IUPAC Name[1-(1-tert-butylpyrrolidine-2-carbonyl)pyrrolidin-2-yl]-[2-(2-methylpropyl)pyrrolidin-1-yl]methanone
SMILESCC(C)CC1CCCN1C(=O)C1CCCN1C(=O)C1CCCN1C(C)(C)C
InChIInChI=1S/C22H39N3O2/c1-16(2)15-17-9-6-12-23(17)20(26)18-10-7-13-24(18)21(27)19-11-8-14-25(19)22(3,4)5/h16-19H,6-15H2,1-5H3
InChIKeyWRGUGGLDPSCNSB-UHFFFAOYSA-N
XLogP3.28
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.57
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(1-tert-butylpyrrolidine-2-carbonyl)pyrrolidin-2-yl]-[2-(2-methylpropyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [1-(1-tert-butylpyrrolidine-2-carbonyl)pyrrolidin-2-yl]-[2-(2-methylpropyl)pyrrolidin-1-yl]methanone (CID 176781648) is [1-(1-tert-butylpyrrolidine-2-carbonyl)pyrrolidin-2-yl]-[2-(2-methylpropyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [1-(1-tert-butylpyrrolidine-2-carbonyl)pyrrolidin-2-yl]-[2-(2-methylpropyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [1-(1-tert-butylpyrrolidine-2-carbonyl)pyrrolidin-2-yl]-[2-(2-methylpropyl)pyrrolidin-1-yl]methanone is CC(C)CC1CCCN1C(=O)C1CCCN1C(=O)C1CCCN1C(C)(C)C.
What is the InChIKey of [1-(1-tert-butylpyrrolidine-2-carbonyl)pyrrolidin-2-yl]-[2-(2-methylpropyl)pyrrolidin-1-yl]methanone?
The InChIKey is WRGUGGLDPSCNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39N3O2/c1-16(2)15-17-9-6-12-23(17)20(26)18-10-7-13-24(18)21(27)19-11-8-14-25(19)22(3,4)5/h16-19H,6-15H2,1-5H3.
What are the key properties of [1-(1-tert-butylpyrrolidine-2-carbonyl)pyrrolidin-2-yl]-[2-(2-methylpropyl)pyrrolidin-1-yl]methanone?
[1-(1-tert-butylpyrrolidine-2-carbonyl)pyrrolidin-2-yl]-[2-(2-methylpropyl)pyrrolidin-1-yl]methanone has a molecular weight of 377.57 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-tert-butylpyrrolidine-2-carbonyl)pyrrolidin-2-yl]-[2-(2-methylpropyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 176781648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).