(2,5-dichlorophenyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone

C16H20Cl2N2O — CID 60978829

IUPAC(2,5-dichlorophenyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone
SMILESO=C(c1cc(Cl)ccc1Cl)N1CCCC(C2CCCN2)C1
InChIInChI=1S/C16H20Cl2N2O/c17-12-5-6-14(18)13(9-12)16(21)20-8-2-3-11(10-20)15-4-1-7-19-15/h5-6,9,11,15,19H,1-4,7-8,10H2
InChIKeyVMRMGIQZEKPINC-UHFFFAOYSA-N
MW327.25 g/mol
LogP3.60
Rot. Bonds2

About (2,5-dichlorophenyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone

(2,5-dichlorophenyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone (PubChem CID 60978829) has the molecular formula C16H20Cl2N2O and a molecular weight of 327.25 g/mol. Its IUPAC name is (2,5-dichlorophenyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2,5-dichlorophenyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone
PubChem CID60978829
Molecular FormulaC16H20Cl2N2O
Molecular Weight327.25 g/mol
Exact Mass326.10
IUPAC Name(2,5-dichlorophenyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone
SMILESO=C(c1cc(Cl)ccc1Cl)N1CCCC(C2CCCN2)C1
InChIInChI=1S/C16H20Cl2N2O/c17-12-5-6-14(18)13(9-12)16(21)20-8-2-3-11(10-20)15-4-1-7-19-15/h5-6,9,11,15,19H,1-4,7-8,10H2
InChIKeyVMRMGIQZEKPINC-UHFFFAOYSA-N
XLogP3.60
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.25
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chloro-2-iodophenyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 103832102
(5-chloro-2-fluorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63259160
(2-hydroxyphenyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 60978290
(2,5-dichlorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 93032488
(3,5-dimethylphenyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 60979101
(2,5-dichlorophenyl)-(3-methylpiperazin-1-yl)methanone
CID 65419188
1-(2,5-dichlorophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine
CID 120714118
[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-(4-chlorophenyl)methanone
CID 102679580
(2,5-dichlorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62371472
(3,4-dichlorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63259023
(5-bromothiophen-3-yl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 103832103
(2-chloro-4-fluorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63259329

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorophenyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The IUPAC name of (2,5-dichlorophenyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone (CID 60978829) is (2,5-dichlorophenyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (2,5-dichlorophenyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for (2,5-dichlorophenyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone is O=C(c1cc(Cl)ccc1Cl)N1CCCC(C2CCCN2)C1.
What is the InChIKey of (2,5-dichlorophenyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The InChIKey is VMRMGIQZEKPINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2O/c17-12-5-6-14(18)13(9-12)16(21)20-8-2-3-11(10-20)15-4-1-7-19-15/h5-6,9,11,15,19H,1-4,7-8,10H2.
What are the key properties of (2,5-dichlorophenyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone?
(2,5-dichlorophenyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone has a molecular weight of 327.25 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorophenyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 60978829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).