(4-cyclopentylpiperazin-1-yl)-(2,2-dichloro-1-methylcyclopropyl)methanone

C14H22Cl2N2O — CID 134020620

IUPAC(4-cyclopentylpiperazin-1-yl)-(2,2-dichloro-1-methylcyclopropyl)methanone
SMILESCC1(C(=O)N2CCN(C3CCCC3)CC2)CC1(Cl)Cl
InChIInChI=1S/C14H22Cl2N2O/c1-13(10-14(13,15)16)12(19)18-8-6-17(7-9-18)11-4-2-3-5-11/h11H,2-10H2,1H3
InChIKeyVUBBRXQSLRNKHP-UHFFFAOYSA-N
MW305.25 g/mol
LogP2.66
Rot. Bonds2

About (4-cyclopentylpiperazin-1-yl)-(2,2-dichloro-1-methylcyclopropyl)methanone

(4-cyclopentylpiperazin-1-yl)-(2,2-dichloro-1-methylcyclopropyl)methanone (PubChem CID 134020620) has the molecular formula C14H22Cl2N2O and a molecular weight of 305.25 g/mol. Its IUPAC name is (4-cyclopentylpiperazin-1-yl)-(2,2-dichloro-1-methylcyclopropyl)methanone.

Molecular Properties

Compound Name(4-cyclopentylpiperazin-1-yl)-(2,2-dichloro-1-methylcyclopropyl)methanone
PubChem CID134020620
Molecular FormulaC14H22Cl2N2O
Molecular Weight305.25 g/mol
Exact Mass304.11
IUPAC Name(4-cyclopentylpiperazin-1-yl)-(2,2-dichloro-1-methylcyclopropyl)methanone
SMILESCC1(C(=O)N2CCN(C3CCCC3)CC2)CC1(Cl)Cl
InChIInChI=1S/C14H22Cl2N2O/c1-13(10-14(13,15)16)12(19)18-8-6-17(7-9-18)11-4-2-3-5-11/h11H,2-10H2,1H3
InChIKeyVUBBRXQSLRNKHP-UHFFFAOYSA-N
XLogP2.66
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.25
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2,2-dichloro-1-methylcyclopropyl)-(4-hydroxypiperidin-1-yl)methanone
CID 110883903
1-(4-cyclopentylpiperazin-1-yl)ethanone;ethane
CID 143413632
1-(4-cyclopentylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 62369000
1-[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]piperidine-4-carboxamide
CID 30534375
(4-cyclopentylpiperazin-1-yl)-(3-methylpiperidin-3-yl)methanone
CID 63133084
(4-cyclopentylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone;dihydrochloride
CID 119843049
(1-aminocyclopentyl)-(4-cyclopentylpiperazin-1-yl)methanone;dihydrochloride
CID 119843053
(4-cyclopentylpiperazin-1-yl)-(2,4-dimethylmorpholin-2-yl)methanone
CID 110267596
4-cyclopentylpiperazine-1-carboxamide
CID 57205906
methyl 4-cyclopentylpiperazine-1-carboxylate
CID 110708898
(4-cyclopentylpiperazin-1-yl)-(4-methylpiperazin-1-yl)methanone
CID 121184728
[4-(4-cyclopentylpiperazine-1-carbonyl)cyclohexyl]-(4-cyclopentylpiperazin-1-yl)methanone
CID 112815528

Frequently Asked Questions

What is the IUPAC name of (4-cyclopentylpiperazin-1-yl)-(2,2-dichloro-1-methylcyclopropyl)methanone?
The IUPAC name of (4-cyclopentylpiperazin-1-yl)-(2,2-dichloro-1-methylcyclopropyl)methanone (CID 134020620) is (4-cyclopentylpiperazin-1-yl)-(2,2-dichloro-1-methylcyclopropyl)methanone.
What is the SMILES notation for (4-cyclopentylpiperazin-1-yl)-(2,2-dichloro-1-methylcyclopropyl)methanone?
The canonical SMILES for (4-cyclopentylpiperazin-1-yl)-(2,2-dichloro-1-methylcyclopropyl)methanone is CC1(C(=O)N2CCN(C3CCCC3)CC2)CC1(Cl)Cl.
What is the InChIKey of (4-cyclopentylpiperazin-1-yl)-(2,2-dichloro-1-methylcyclopropyl)methanone?
The InChIKey is VUBBRXQSLRNKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22Cl2N2O/c1-13(10-14(13,15)16)12(19)18-8-6-17(7-9-18)11-4-2-3-5-11/h11H,2-10H2,1H3.
What are the key properties of (4-cyclopentylpiperazin-1-yl)-(2,2-dichloro-1-methylcyclopropyl)methanone?
(4-cyclopentylpiperazin-1-yl)-(2,2-dichloro-1-methylcyclopropyl)methanone has a molecular weight of 305.25 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopentylpiperazin-1-yl)-(2,2-dichloro-1-methylcyclopropyl)methanone is sourced from PubChem (CID 134020620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).