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

C16H31N3O2 — CID 126752760

IUPAC3-propan-2-yloxy-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide
SMILESCC(C)OC1CCN(C(=O)NC2CCN(C(C)C)CC2)C1
InChIInChI=1S/C16H31N3O2/c1-12(2)18-8-5-14(6-9-18)17-16(20)19-10-7-15(11-19)21-13(3)4/h12-15H,5-11H2,1-4H3,(H,17,20)
InChIKeyXZAAILLUWATMHJ-UHFFFAOYSA-N
MW297.44 g/mol
LogP2.07
Rot. Bonds4

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

3-propan-2-yloxy-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide (PubChem CID 126752760) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 3-propan-2-yloxy-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-propan-2-yloxy-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide
PubChem CID126752760
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name3-propan-2-yloxy-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide
SMILESCC(C)OC1CCN(C(=O)NC2CCN(C(C)C)CC2)C1
InChIInChI=1S/C16H31N3O2/c1-12(2)18-8-5-14(6-9-18)17-16(20)19-10-7-15(11-19)21-13(3)4/h12-15H,5-11H2,1-4H3,(H,17,20)
InChIKeyXZAAILLUWATMHJ-UHFFFAOYSA-N
XLogP2.07
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-morpholin-4-ylpropan-2-yl)pyrrolidine-1-carboxamide
CID 60478485
N-(2-methoxyethyl)-4-(propan-2-ylamino)piperidine-1-carboxamide
CID 72018405
1-Methyl-3-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]imidazolidin-2-one
CID 72044061
1-Methyl-1-(1-methylpyrrolidin-3-yl)-3-(2-morpholin-4-ylethyl)urea
CID 172437142
N-(pentan-2-yl)morpholine-4-carboxamide
CID 3137306
4-methoxy-N-(propan-2-yl)piperidine-1-carboxamide
CID 53016501
4-Ethoxy-N-(propan-2-YL)piperidine-1-carboxamide
CID 53016502
4-methoxy-N-(2-methoxyethyl)piperidine-1-carboxamide
CID 145915642
1-Cyclohexyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea
CID 4798569
N-butan-2-yl-4-methoxypiperidine-1-carboxamide
CID 53016512
N-cyclopentyl-4-ethoxypiperidine-1-carboxamide
CID 53016537
Methyl 4-(oxolan-2-ylmethylcarbamoylamino)piperidine-1-carboxylate
CID 47392783

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yloxy-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-propan-2-yloxy-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide (CID 126752760) is 3-propan-2-yloxy-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-propan-2-yloxy-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-propan-2-yloxy-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide is CC(C)OC1CCN(C(=O)NC2CCN(C(C)C)CC2)C1.
What is the InChIKey of 3-propan-2-yloxy-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide?
The InChIKey is XZAAILLUWATMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-12(2)18-8-5-14(6-9-18)17-16(20)19-10-7-15(11-19)21-13(3)4/h12-15H,5-11H2,1-4H3,(H,17,20).
What are the key properties of 3-propan-2-yloxy-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide?
3-propan-2-yloxy-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide has a molecular weight of 297.44 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxy-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 126752760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).