[4-(difluoromethoxy)phenyl]-[4-[(3R)-pyrrolidin-3-yl]piperazin-1-yl]methanone

C16H21F2N3O2 — CID 124757608

IUPAC[4-(difluoromethoxy)phenyl]-[4-[(3R)-pyrrolidin-3-yl]piperazin-1-yl]methanone
SMILESO=C(c1ccc(OC(F)F)cc1)N1CCN([C@@H]2CCNC2)CC1
InChIInChI=1S/C16H21F2N3O2/c17-16(18)23-14-3-1-12(2-4-14)15(22)21-9-7-20(8-10-21)13-5-6-19-11-13/h1-4,13,16,19H,5-11H2/t13-/m1/s1
InChIKeyWRNPJNUMGXPOMM-CYBMUJFWSA-N
MW325.36 g/mol
LogP1.41
Rot. Bonds4

About [4-(difluoromethoxy)phenyl]-[4-[(3R)-pyrrolidin-3-yl]piperazin-1-yl]methanone

[4-(difluoromethoxy)phenyl]-[4-[(3R)-pyrrolidin-3-yl]piperazin-1-yl]methanone (PubChem CID 124757608) has the molecular formula C16H21F2N3O2 and a molecular weight of 325.36 g/mol. Its IUPAC name is [4-(difluoromethoxy)phenyl]-[4-[(3R)-pyrrolidin-3-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-(difluoromethoxy)phenyl]-[4-[(3R)-pyrrolidin-3-yl]piperazin-1-yl]methanone
PubChem CID124757608
Molecular FormulaC16H21F2N3O2
Molecular Weight325.36 g/mol
Exact Mass325.16
IUPAC Name[4-(difluoromethoxy)phenyl]-[4-[(3R)-pyrrolidin-3-yl]piperazin-1-yl]methanone
SMILESO=C(c1ccc(OC(F)F)cc1)N1CCN([C@@H]2CCNC2)CC1
InChIInChI=1S/C16H21F2N3O2/c17-16(18)23-14-3-1-12(2-4-14)15(22)21-9-7-20(8-10-21)13-5-6-19-11-13/h1-4,13,16,19H,5-11H2/t13-/m1/s1
InChIKeyWRNPJNUMGXPOMM-CYBMUJFWSA-N
XLogP1.41
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(difluoromethoxy)phenyl]-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone
CID 38387477
(4-chloropiperidin-1-yl)-[4-(difluoromethoxy)phenyl]methanone
CID 63390547
[4-(difluoromethoxy)phenyl]-(2-methylpiperazin-1-yl)methanone
CID 62672938
[4-(difluoromethoxy)phenyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119559882
[1-[4-(difluoromethoxy)benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 134026644
[4-(chloromethyl)piperidin-1-yl]-[4-(difluoromethoxy)phenyl]methanone
CID 63397857
[4-(difluoromethoxy)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63251080
4-[4-(azetidin-3-yl)piperazine-1-carbonyl]benzonitrile
CID 66203293
[4-(6-amino-5-methyl-3-pyridinyl)phenyl]-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]methanone
CID 126424652
(E)-3-[4-(difluoromethoxy)phenyl]-1-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]prop-2-en-1-one
CID 46399770
2-[4-(difluoromethoxy)phenyl]-N-pyrrolidin-3-ylacetamide
CID 119451451
2,2-diphenyl-1-(4-pyrrolidin-3-ylpiperazin-1-yl)ethanone
CID 155948017

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethoxy)phenyl]-[4-[(3R)-pyrrolidin-3-yl]piperazin-1-yl]methanone?
The IUPAC name of [4-(difluoromethoxy)phenyl]-[4-[(3R)-pyrrolidin-3-yl]piperazin-1-yl]methanone (CID 124757608) is [4-(difluoromethoxy)phenyl]-[4-[(3R)-pyrrolidin-3-yl]piperazin-1-yl]methanone.
What is the SMILES notation for [4-(difluoromethoxy)phenyl]-[4-[(3R)-pyrrolidin-3-yl]piperazin-1-yl]methanone?
The canonical SMILES for [4-(difluoromethoxy)phenyl]-[4-[(3R)-pyrrolidin-3-yl]piperazin-1-yl]methanone is O=C(c1ccc(OC(F)F)cc1)N1CCN([C@@H]2CCNC2)CC1.
What is the InChIKey of [4-(difluoromethoxy)phenyl]-[4-[(3R)-pyrrolidin-3-yl]piperazin-1-yl]methanone?
The InChIKey is WRNPJNUMGXPOMM-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H21F2N3O2/c17-16(18)23-14-3-1-12(2-4-14)15(22)21-9-7-20(8-10-21)13-5-6-19-11-13/h1-4,13,16,19H,5-11H2/t13-/m1/s1.
What are the key properties of [4-(difluoromethoxy)phenyl]-[4-[(3R)-pyrrolidin-3-yl]piperazin-1-yl]methanone?
[4-(difluoromethoxy)phenyl]-[4-[(3R)-pyrrolidin-3-yl]piperazin-1-yl]methanone has a molecular weight of 325.36 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethoxy)phenyl]-[4-[(3R)-pyrrolidin-3-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 124757608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).