(1-propan-2-ylpyrrol-2-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone

C17H27N3O — CID 63256233

IUPAC(1-propan-2-ylpyrrol-2-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
SMILESCC(C)n1cccc1C(=O)N1CCCCC1C1CCCN1
InChIInChI=1S/C17H27N3O/c1-13(2)19-12-6-9-16(19)17(21)20-11-4-3-8-15(20)14-7-5-10-18-14/h6,9,12-15,18H,3-5,7-8,10-11H2,1-2H3
InChIKeyCYWBTAXBLJREJG-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.82
Rot. Bonds3

About (1-propan-2-ylpyrrol-2-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone

(1-propan-2-ylpyrrol-2-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone (PubChem CID 63256233) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is (1-propan-2-ylpyrrol-2-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(1-propan-2-ylpyrrol-2-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
PubChem CID63256233
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name(1-propan-2-ylpyrrol-2-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
SMILESCC(C)n1cccc1C(=O)N1CCCCC1C1CCCN1
InChIInChI=1S/C17H27N3O/c1-13(2)19-12-6-9-16(19)17(21)20-11-4-3-8-15(20)14-7-5-10-18-14/h6,9,12-15,18H,3-5,7-8,10-11H2,1-2H3
InChIKeyCYWBTAXBLJREJG-UHFFFAOYSA-N
XLogP2.82
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-propan-2-ylpyrrole-2-carbonyl)azepane-2-carboxylic acid
CID 64561262
(2,6-dihydroxyphenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 107690258
(2-methylsulfanylphenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 79213916
[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(1-propan-2-ylpyrrol-2-yl)methanone
CID 43639228
(1-propan-2-ylpyrrol-2-yl)-pyrrolidin-2-ylmethanone
CID 84734110
(3-methylimidazol-4-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 103511553
(2-iodophenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63256547
(4-bromo-1-methylpyrrol-2-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63256413
(2,6-dichlorophenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
CID 62274244
(2,3-difluorophenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63256799
(3-methoxyphenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63256589
[2-(3-fluorophenyl)azepan-1-yl]-(1-propan-2-ylpyrrol-2-yl)methanone
CID 91838120

Frequently Asked Questions

What is the IUPAC name of (1-propan-2-ylpyrrol-2-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The IUPAC name of (1-propan-2-ylpyrrol-2-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone (CID 63256233) is (1-propan-2-ylpyrrol-2-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (1-propan-2-ylpyrrol-2-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for (1-propan-2-ylpyrrol-2-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone is CC(C)n1cccc1C(=O)N1CCCCC1C1CCCN1.
What is the InChIKey of (1-propan-2-ylpyrrol-2-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The InChIKey is CYWBTAXBLJREJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-13(2)19-12-6-9-16(19)17(21)20-11-4-3-8-15(20)14-7-5-10-18-14/h6,9,12-15,18H,3-5,7-8,10-11H2,1-2H3.
What are the key properties of (1-propan-2-ylpyrrol-2-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone?
(1-propan-2-ylpyrrol-2-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone has a molecular weight of 289.42 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propan-2-ylpyrrol-2-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 63256233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).