[4-amino-3-(cyclopropylmethoxy)phenyl]-(4-methylpiperazin-1-yl)methanone

C16H23N3O2 — CID 118286442

IUPAC[4-amino-3-(cyclopropylmethoxy)phenyl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccc(N)c(OCC3CC3)c2)CC1
InChIInChI=1S/C16H23N3O2/c1-18-6-8-19(9-7-18)16(20)13-4-5-14(17)15(10-13)21-11-12-2-3-12/h4-5,10,12H,2-3,6-9,11,17H2,1H3
InChIKeyKZTZBIUFHVKMTD-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.45
Rot. Bonds4

About [4-amino-3-(cyclopropylmethoxy)phenyl]-(4-methylpiperazin-1-yl)methanone

[4-amino-3-(cyclopropylmethoxy)phenyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 118286442) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is [4-amino-3-(cyclopropylmethoxy)phenyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-amino-3-(cyclopropylmethoxy)phenyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID118286442
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name[4-amino-3-(cyclopropylmethoxy)phenyl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccc(N)c(OCC3CC3)c2)CC1
InChIInChI=1S/C16H23N3O2/c1-18-6-8-19(9-7-18)16(20)13-4-5-14(17)15(10-13)21-11-12-2-3-12/h4-5,10,12H,2-3,6-9,11,17H2,1H3
InChIKeyKZTZBIUFHVKMTD-UHFFFAOYSA-N
XLogP1.45
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-(cyclopentylmethoxy)benzoic acid
CID 61344123
(4-amino-3-methoxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 90104243
4-amino-3-(cycloheptylmethoxy)benzamide
CID 114247963
(4-amino-3-methoxyphenyl)-(4-tert-butylpiperidin-1-yl)methanone
CID 90103540
(3-aminophenyl)-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 19842351
(2-methyl-1,3-dihydroisoindol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 59274108
4-amino-3-(cyclohexylmethoxy)-N-ethylbenzamide
CID 63358647
(4-amino-3-methoxyphenyl)-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methanone
CID 118286378
(4-amino-3-methoxyphenyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 114796729
(4-amino-3-methoxyphenyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 104782923
4-amino-3-(cyclopropylmethoxy)-N-methylbenzenesulfonamide
CID 82900892
4-hydroxy-3-methoxybenzoic acid;(4-hydroxy-3-methoxyphenyl)-(4-methylpiperazin-1-yl)methanone
CID 158397827

Frequently Asked Questions

What is the IUPAC name of [4-amino-3-(cyclopropylmethoxy)phenyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [4-amino-3-(cyclopropylmethoxy)phenyl]-(4-methylpiperazin-1-yl)methanone (CID 118286442) is [4-amino-3-(cyclopropylmethoxy)phenyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-amino-3-(cyclopropylmethoxy)phenyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [4-amino-3-(cyclopropylmethoxy)phenyl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2ccc(N)c(OCC3CC3)c2)CC1.
What is the InChIKey of [4-amino-3-(cyclopropylmethoxy)phenyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is KZTZBIUFHVKMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-18-6-8-19(9-7-18)16(20)13-4-5-14(17)15(10-13)21-11-12-2-3-12/h4-5,10,12H,2-3,6-9,11,17H2,1H3.
What are the key properties of [4-amino-3-(cyclopropylmethoxy)phenyl]-(4-methylpiperazin-1-yl)methanone?
[4-amino-3-(cyclopropylmethoxy)phenyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 289.38 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-3-(cyclopropylmethoxy)phenyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 118286442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).