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

4-propan-2-yl-N-(1-propan-2-ylpiperidin-4-yl)piperidine-1-carboxamide
CID 162725913
1-propan-2-yl-3-propan-2-yloxypyrrolidine
CID 66606030
2-methyl-1-(3-propan-2-yloxypyrrolidin-1-yl)propan-1-one
CID 140629108
4-[[3-(2-methylpropoxy)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122024360
(3S)-3-[(4-methylpiperidin-1-yl)methyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidine-1-carboxamide
CID 100671853
oxetan-3-yl-[(3S)-3-propan-2-yloxypyrrolidin-1-yl]methanone
CID 121261750
1-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]ethanone
CID 43223565
N-(1-propan-2-ylpiperidin-4-yl)cyclopropanecarboxamide
CID 25236585
2-methyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;molecular hydrogen
CID 176982787
3-(1-aminoethyl)-N-cyclopentylpyrrolidine-1-carboxamide
CID 103975960
propan-2-yl 4-(pyrrolidine-1-carbonylamino)piperidine-1-carboxylate
CID 124559521
4-methyl-1-[(4-propan-2-yloxycyclohexyl)carbamoyl]piperidine-4-carboxylic acid
CID 167930653

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).