2-cyclopropyl-1-[2-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]pyrrolidin-1-yl]ethanone

C21H28N2O3 — CID 163339605

IUPAC2-cyclopropyl-1-[2-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]pyrrolidin-1-yl]ethanone
SMILESO=C(c1ccc(OCC2CCCN2C(=O)CC2CC2)cc1)N1CCCC1
InChIInChI=1S/C21H28N2O3/c24-20(14-16-5-6-16)23-13-3-4-18(23)15-26-19-9-7-17(8-10-19)21(25)22-11-1-2-12-22/h7-10,16,18H,1-6,11-15H2
InChIKeyWTEAEALCCDCLAD-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.09
Rot. Bonds6

About 2-cyclopropyl-1-[2-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]pyrrolidin-1-yl]ethanone

2-cyclopropyl-1-[2-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]pyrrolidin-1-yl]ethanone (PubChem CID 163339605) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-cyclopropyl-1-[2-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-[2-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]pyrrolidin-1-yl]ethanone
PubChem CID163339605
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name2-cyclopropyl-1-[2-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]pyrrolidin-1-yl]ethanone
SMILESO=C(c1ccc(OCC2CCCN2C(=O)CC2CC2)cc1)N1CCCC1
InChIInChI=1S/C21H28N2O3/c24-20(14-16-5-6-16)23-13-3-4-18(23)15-26-19-9-7-17(8-10-19)21(25)22-11-1-2-12-22/h7-10,16,18H,1-6,11-15H2
InChIKeyWTEAEALCCDCLAD-UHFFFAOYSA-N
XLogP3.09
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[[1-(4-fluorobenzoyl)pyrrolidin-2-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 50846223
cyclopentyl-[2-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]pyrrolidin-1-yl]methanone
CID 50846638
2-(2-chlorophenyl)-1-[2-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]pyrrolidin-1-yl]ethanone
CID 163339600
3-cyclopentyl-1-[2-[[4-(morpholine-4-carbonyl)phenoxy]methyl]pyrrolidin-1-yl]propan-1-one
CID 163339484
N-propyl-2-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]pyrrolidine-1-carboxamide
CID 163340085
[4-[[1-(4-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 163339902
1-[4-(cyclopropylmethoxy)benzoyl]piperidine-3-carboxylic acid
CID 119167329
(2R)-1-[4-(cyclopropylmethoxy)benzoyl]pyrrolidine-2-carboxylic acid
CID 119370683
[4-[[1-(6-methylpyridine-2-carbonyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone
CID 163339973
morpholin-4-yl-[4-[[1-(pyridine-2-carbonyl)pyrrolidin-2-yl]methoxy]phenyl]methanone
CID 163339790
[4-(oxiran-2-ylmethoxy)phenyl]-pyrrolidin-1-ylmethanone
CID 146098594
4-[[(2R)-1-(4-methylbenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide
CID 92900722

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[2-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-cyclopropyl-1-[2-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]pyrrolidin-1-yl]ethanone (CID 163339605) is 2-cyclopropyl-1-[2-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopropyl-1-[2-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopropyl-1-[2-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]pyrrolidin-1-yl]ethanone is O=C(c1ccc(OCC2CCCN2C(=O)CC2CC2)cc1)N1CCCC1.
What is the InChIKey of 2-cyclopropyl-1-[2-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]pyrrolidin-1-yl]ethanone?
The InChIKey is WTEAEALCCDCLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c24-20(14-16-5-6-16)23-13-3-4-18(23)15-26-19-9-7-17(8-10-19)21(25)22-11-1-2-12-22/h7-10,16,18H,1-6,11-15H2.
What are the key properties of 2-cyclopropyl-1-[2-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]pyrrolidin-1-yl]ethanone?
2-cyclopropyl-1-[2-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]pyrrolidin-1-yl]ethanone has a molecular weight of 356.47 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[2-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 163339605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).