3-propan-2-yl-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide

C16H31N3O — CID 106979930

IUPAC3-propan-2-yl-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide
SMILESCC(C)N1CCC(NC(=O)C2(C(C)C)CCNC2)CC1
InChIInChI=1S/C16H31N3O/c1-12(2)16(7-8-17-11-16)15(20)18-14-5-9-19(10-6-14)13(3)4/h12-14,17H,5-11H2,1-4H3,(H,18,20)
InChIKeyJZDCTFIYIBVAFR-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.61
Rot. Bonds4

About 3-propan-2-yl-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide

3-propan-2-yl-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide (PubChem CID 106979930) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 3-propan-2-yl-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-propan-2-yl-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide
PubChem CID106979930
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name3-propan-2-yl-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide
SMILESCC(C)N1CCC(NC(=O)C2(C(C)C)CCNC2)CC1
InChIInChI=1S/C16H31N3O/c1-12(2)16(7-8-17-11-16)15(20)18-14-5-9-19(10-6-14)13(3)4/h12-14,17H,5-11H2,1-4H3,(H,18,20)
InChIKeyJZDCTFIYIBVAFR-UHFFFAOYSA-N
XLogP1.61
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylcyclohexyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981352
N-(4-carbamoylcyclohexyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979816
N-(oxan-3-yl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980679
N-(3-ethylcyclohexyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980796
3-propan-2-ylpyrrolidine-3-carbohydrazide
CID 106980734
N-cyclopropyl-1-propan-2-ylcyclopropane-1-carboxamide
CID 130695235
(4-methylsulfanylpiperidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 114237027
2-bromo-3-methyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide
CID 43700528
methyl N-[1-(3-propan-2-ylpyrrolidine-3-carbonyl)pyrrolidin-3-yl]carbamate
CID 106981194
N-[(1-methylpiperidin-4-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980499
N-[2-(hydroxymethyl)cyclopentyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 114178691
2-cyclopropyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]acetic acid
CID 106980598

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 3-propan-2-yl-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide (CID 106979930) is 3-propan-2-yl-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-propan-2-yl-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 3-propan-2-yl-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide is CC(C)N1CCC(NC(=O)C2(C(C)C)CCNC2)CC1.
What is the InChIKey of 3-propan-2-yl-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide?
The InChIKey is JZDCTFIYIBVAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-12(2)16(7-8-17-11-16)15(20)18-14-5-9-19(10-6-14)13(3)4/h12-14,17H,5-11H2,1-4H3,(H,18,20).
What are the key properties of 3-propan-2-yl-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide?
3-propan-2-yl-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide has a molecular weight of 281.44 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 106979930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).