(3-morpholin-4-ylpyrrolidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone

C16H29N3O2 — CID 106980656

IUPAC(3-morpholin-4-ylpyrrolidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
SMILESCC(C)C1(C(=O)N2CCC(N3CCOCC3)C2)CCNC1
InChIInChI=1S/C16H29N3O2/c1-13(2)16(4-5-17-12-16)15(20)19-6-3-14(11-19)18-7-9-21-10-8-18/h13-14,17H,3-12H2,1-2H3
InChIKeyTWBKGTSKBRMZSK-UHFFFAOYSA-N
MW295.43 g/mol
LogP0.56
Rot. Bonds3

About (3-morpholin-4-ylpyrrolidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone

(3-morpholin-4-ylpyrrolidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone (PubChem CID 106980656) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is (3-morpholin-4-ylpyrrolidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name(3-morpholin-4-ylpyrrolidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
PubChem CID106980656
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name(3-morpholin-4-ylpyrrolidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
SMILESCC(C)C1(C(=O)N2CCC(N3CCOCC3)C2)CCNC1
InChIInChI=1S/C16H29N3O2/c1-13(2)16(4-5-17-12-16)15(20)19-6-3-14(11-19)18-7-9-21-10-8-18/h13-14,17H,3-12H2,1-2H3
InChIKeyTWBKGTSKBRMZSK-UHFFFAOYSA-N
XLogP0.56
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-hydroxypyrrolidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106980620
(3-methylpiperidin-3-yl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 63172091
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106981172
(4-hydroxy-3-methylpiperidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106981349
(3,4-dimethylpyrrolidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106980906
(4-methylsulfanylpiperidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 114237027
(3R)-1-(3-propan-2-ylpyrrolidine-3-carbonyl)piperidine-3-carboxylic acid
CID 106981005
(1-aminocyclopentyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 55158587
methyl N-[1-(3-propan-2-ylpyrrolidine-3-carbonyl)pyrrolidin-3-yl]carbamate
CID 106981194
(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106981004
2-[1-(3-propan-2-ylpyrrolidine-3-carbonyl)piperidin-3-yl]acetic acid
CID 106980595
(3,4-dimethoxypyrrolidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106981410

Frequently Asked Questions

What is the IUPAC name of (3-morpholin-4-ylpyrrolidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone?
The IUPAC name of (3-morpholin-4-ylpyrrolidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone (CID 106980656) is (3-morpholin-4-ylpyrrolidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone.
What is the SMILES notation for (3-morpholin-4-ylpyrrolidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone?
The canonical SMILES for (3-morpholin-4-ylpyrrolidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone is CC(C)C1(C(=O)N2CCC(N3CCOCC3)C2)CCNC1.
What is the InChIKey of (3-morpholin-4-ylpyrrolidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone?
The InChIKey is TWBKGTSKBRMZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-13(2)16(4-5-17-12-16)15(20)19-6-3-14(11-19)18-7-9-21-10-8-18/h13-14,17H,3-12H2,1-2H3.
What are the key properties of (3-morpholin-4-ylpyrrolidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone?
(3-morpholin-4-ylpyrrolidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone has a molecular weight of 295.43 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-morpholin-4-ylpyrrolidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 106980656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).