2,5-dihydro-1H-pyrrol-2-yl-[4-[2-(pyrrolidine-1-carbonyl)phenoxy]piperidin-1-yl]methanone

C21H27N3O3 — CID 72912789

IUPAC2,5-dihydro-1H-pyrrol-2-yl-[4-[2-(pyrrolidine-1-carbonyl)phenoxy]piperidin-1-yl]methanone
SMILESO=C(c1ccccc1OC1CCN(C(=O)C2C=CCN2)CC1)N1CCCC1
InChIInChI=1S/C21H27N3O3/c25-20(23-12-3-4-13-23)17-6-1-2-8-19(17)27-16-9-14-24(15-10-16)21(26)18-7-5-11-22-18/h1-2,5-8,16,18,22H,3-4,9-15H2
InChIKeyPYABSHAAMKTMIO-UHFFFAOYSA-N
MW369.47 g/mol
LogP1.82
Rot. Bonds4

About 2,5-dihydro-1H-pyrrol-2-yl-[4-[2-(pyrrolidine-1-carbonyl)phenoxy]piperidin-1-yl]methanone

2,5-dihydro-1H-pyrrol-2-yl-[4-[2-(pyrrolidine-1-carbonyl)phenoxy]piperidin-1-yl]methanone (PubChem CID 72912789) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2,5-dihydro-1H-pyrrol-2-yl-[4-[2-(pyrrolidine-1-carbonyl)phenoxy]piperidin-1-yl]methanone.

Molecular Properties

Compound Name2,5-dihydro-1H-pyrrol-2-yl-[4-[2-(pyrrolidine-1-carbonyl)phenoxy]piperidin-1-yl]methanone
PubChem CID72912789
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name2,5-dihydro-1H-pyrrol-2-yl-[4-[2-(pyrrolidine-1-carbonyl)phenoxy]piperidin-1-yl]methanone
SMILESO=C(c1ccccc1OC1CCN(C(=O)C2C=CCN2)CC1)N1CCCC1
InChIInChI=1S/C21H27N3O3/c25-20(23-12-3-4-13-23)17-6-1-2-8-19(17)27-16-9-14-24(15-10-16)21(26)18-7-5-11-22-18/h1-2,5-8,16,18,22H,3-4,9-15H2
InChIKeyPYABSHAAMKTMIO-UHFFFAOYSA-N
XLogP1.82
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[2-[1-(cyclopentylmethyl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 26405720
1-[4-(2-cyclobutyloxybenzoyl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 75372240
[2-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 72865582
[2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
CID 42150850
[2-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 25385116
piperidin-1-yl-[2-[1-(1,3-thiazol-2-yl)piperidin-4-yl]oxyphenyl]methanone
CID 72846007
[2-[1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
CID 25460818
[2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 42191016
[2-[1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
CID 72929961
[2-[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 56712666
6-[4-[2-(piperidine-1-carbonyl)phenoxy]piperidin-1-yl]pyridine-2-carbonitrile
CID 72838338
N-[1-(2-cyclobutyloxybenzoyl)piperidin-4-yl]-4-fluorobenzenesulfonamide
CID 86971710

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydro-1H-pyrrol-2-yl-[4-[2-(pyrrolidine-1-carbonyl)phenoxy]piperidin-1-yl]methanone?
The IUPAC name of 2,5-dihydro-1H-pyrrol-2-yl-[4-[2-(pyrrolidine-1-carbonyl)phenoxy]piperidin-1-yl]methanone (CID 72912789) is 2,5-dihydro-1H-pyrrol-2-yl-[4-[2-(pyrrolidine-1-carbonyl)phenoxy]piperidin-1-yl]methanone.
What is the SMILES notation for 2,5-dihydro-1H-pyrrol-2-yl-[4-[2-(pyrrolidine-1-carbonyl)phenoxy]piperidin-1-yl]methanone?
The canonical SMILES for 2,5-dihydro-1H-pyrrol-2-yl-[4-[2-(pyrrolidine-1-carbonyl)phenoxy]piperidin-1-yl]methanone is O=C(c1ccccc1OC1CCN(C(=O)C2C=CCN2)CC1)N1CCCC1.
What is the InChIKey of 2,5-dihydro-1H-pyrrol-2-yl-[4-[2-(pyrrolidine-1-carbonyl)phenoxy]piperidin-1-yl]methanone?
The InChIKey is PYABSHAAMKTMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c25-20(23-12-3-4-13-23)17-6-1-2-8-19(17)27-16-9-14-24(15-10-16)21(26)18-7-5-11-22-18/h1-2,5-8,16,18,22H,3-4,9-15H2.
What are the key properties of 2,5-dihydro-1H-pyrrol-2-yl-[4-[2-(pyrrolidine-1-carbonyl)phenoxy]piperidin-1-yl]methanone?
2,5-dihydro-1H-pyrrol-2-yl-[4-[2-(pyrrolidine-1-carbonyl)phenoxy]piperidin-1-yl]methanone has a molecular weight of 369.47 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydro-1H-pyrrol-2-yl-[4-[2-(pyrrolidine-1-carbonyl)phenoxy]piperidin-1-yl]methanone is sourced from PubChem (CID 72912789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).