(5-amino-2-chlorophenyl)-(4-propan-2-ylpiperazin-1-yl)methanone

C14H20ClN3O — CID 43584913

IUPAC(5-amino-2-chlorophenyl)-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2cc(N)ccc2Cl)CC1
InChIInChI=1S/C14H20ClN3O/c1-10(2)17-5-7-18(8-6-17)14(19)12-9-11(16)3-4-13(12)15/h3-4,9-10H,5-8,16H2,1-2H3
InChIKeyMXKJXVLZPBFCFA-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.09
Rot. Bonds2

About (5-amino-2-chlorophenyl)-(4-propan-2-ylpiperazin-1-yl)methanone

(5-amino-2-chlorophenyl)-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 43584913) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is (5-amino-2-chlorophenyl)-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-amino-2-chlorophenyl)-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID43584913
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name(5-amino-2-chlorophenyl)-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2cc(N)ccc2Cl)CC1
InChIInChI=1S/C14H20ClN3O/c1-10(2)17-5-7-18(8-6-17)14(19)12-9-11(16)3-4-13(12)15/h3-4,9-10H,5-8,16H2,1-2H3
InChIKeyMXKJXVLZPBFCFA-UHFFFAOYSA-N
XLogP2.09
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-chloro-5-sulfanylphenyl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 107023233
(5-amino-2-chlorophenyl)-(4-ethylpiperazin-1-yl)methanone
CID 16783879
(5-amino-2-chlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81096342
(5-amino-2-chlorophenyl)-(4,4-difluoropiperidin-1-yl)methanone
CID 142611641
(5-amino-2-chlorophenyl)-(4-propylpiperazin-1-yl)methanone
CID 16789612
(5-amino-2-chlorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 43581076
(5-amino-2-chlorophenyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone
CID 107210819
(4-chloro-2-iodophenyl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 47039260
(4-chloro-3-iodophenyl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 47039261
(5-amino-2-chlorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 61140481
(5-amino-2-chlorophenyl)-(2-methylmorpholin-4-yl)methanone
CID 16773432
2-[4-(2,5-dichlorobenzoyl)piperazin-1-yl]propanenitrile
CID 63337547

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-chlorophenyl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (5-amino-2-chlorophenyl)-(4-propan-2-ylpiperazin-1-yl)methanone (CID 43584913) is (5-amino-2-chlorophenyl)-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-amino-2-chlorophenyl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (5-amino-2-chlorophenyl)-(4-propan-2-ylpiperazin-1-yl)methanone is CC(C)N1CCN(C(=O)c2cc(N)ccc2Cl)CC1.
What is the InChIKey of (5-amino-2-chlorophenyl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is MXKJXVLZPBFCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-10(2)17-5-7-18(8-6-17)14(19)12-9-11(16)3-4-13(12)15/h3-4,9-10H,5-8,16H2,1-2H3.
What are the key properties of (5-amino-2-chlorophenyl)-(4-propan-2-ylpiperazin-1-yl)methanone?
(5-amino-2-chlorophenyl)-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 281.79 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-chlorophenyl)-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 43584913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).