(3-chlorophenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone

C17H24ClN3O — CID 3824852

IUPAC(3-chlorophenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone
SMILESCN1CCN(C2CCN(C(=O)c3cccc(Cl)c3)CC2)CC1
InChIInChI=1S/C17H24ClN3O/c1-19-9-11-20(12-10-19)16-5-7-21(8-6-16)17(22)14-3-2-4-15(18)13-14/h2-4,13,16H,5-12H2,1H3
InChIKeyIXQPPAMUUYMQIG-UHFFFAOYSA-N
MW321.85 g/mol
LogP2.19
Rot. Bonds2

About (3-chlorophenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone

(3-chlorophenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone (PubChem CID 3824852) has the molecular formula C17H24ClN3O and a molecular weight of 321.85 g/mol. Its IUPAC name is (3-chlorophenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone
PubChem CID3824852
Molecular FormulaC17H24ClN3O
Molecular Weight321.85 g/mol
Exact Mass321.16
IUPAC Name(3-chlorophenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone
SMILESCN1CCN(C2CCN(C(=O)c3cccc(Cl)c3)CC2)CC1
InChIInChI=1S/C17H24ClN3O/c1-19-9-11-20(12-10-19)16-5-7-21(8-6-16)17(22)14-3-2-4-15(18)13-14/h2-4,13,16H,5-12H2,1H3
InChIKeyIXQPPAMUUYMQIG-UHFFFAOYSA-N
XLogP2.19
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.85
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chlorophenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone;oxalic acid
CID 17369257
(3-chlorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 7026509
(3-chlorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;oxalic acid
CID 90483391
(3-chlorophenyl)-[4-[(3S)-3-methylpiperidin-1-yl]piperidin-1-yl]methanone
CID 807187
(3-chlorophenyl)-[4-(3-methylpiperidin-1-yl)piperidin-1-yl]methanone;oxalic acid
CID 2911932
1-[4-[1-(3-chlorobenzoyl)azetidin-3-yl]piperazin-1-yl]ethanone
CID 84579152
[4-(1-chloroethyl)piperidin-1-yl]-(3-chlorophenyl)methanone
CID 106839026
(3-chlorophenyl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone
CID 90617838
N-benzyl-1-[1-(3-chlorobenzoyl)piperidin-4-yl]-N-methylpiperidine-4-carboxamide
CID 42693664
1-(3-chlorobenzoyl)piperidine-4-carbonitrile
CID 39351559
(3-chlorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248550
(3-chlorophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 110869857

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone?
The IUPAC name of (3-chlorophenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone (CID 3824852) is (3-chlorophenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-chlorophenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3-chlorophenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone is CN1CCN(C2CCN(C(=O)c3cccc(Cl)c3)CC2)CC1.
What is the InChIKey of (3-chlorophenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone?
The InChIKey is IXQPPAMUUYMQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O/c1-19-9-11-20(12-10-19)16-5-7-21(8-6-16)17(22)14-3-2-4-15(18)13-14/h2-4,13,16H,5-12H2,1H3.
What are the key properties of (3-chlorophenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone?
(3-chlorophenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone has a molecular weight of 321.85 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 3824852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).