(3-amino-5-methoxyphenyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone

C16H23N3O2 — CID 81093481

IUPAC(3-amino-5-methoxyphenyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
SMILESCOc1cc(N)cc(C(=O)N2CCN(CC3CC3)CC2)c1
InChIInChI=1S/C16H23N3O2/c1-21-15-9-13(8-14(17)10-15)16(20)19-6-4-18(5-7-19)11-12-2-3-12/h8-10,12H,2-7,11,17H2,1H3
InChIKeyWCPYYXWIGQVCQA-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.45
Rot. Bonds4

About (3-amino-5-methoxyphenyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone

(3-amino-5-methoxyphenyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone (PubChem CID 81093481) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is (3-amino-5-methoxyphenyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-amino-5-methoxyphenyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
PubChem CID81093481
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name(3-amino-5-methoxyphenyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
SMILESCOc1cc(N)cc(C(=O)N2CCN(CC3CC3)CC2)c1
InChIInChI=1S/C16H23N3O2/c1-21-15-9-13(8-14(17)10-15)16(20)19-6-4-18(5-7-19)11-12-2-3-12/h8-10,12H,2-7,11,17H2,1H3
InChIKeyWCPYYXWIGQVCQA-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

(3-amino-5-methoxyphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 81090979
(3-amino-5-methoxyphenyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 81091094
(3-amino-5-methoxyphenyl)-[3-(hydroxymethyl)azetidin-1-yl]methanone
CID 107210906
(3-amino-5-methoxyphenyl)-(4-methylazepan-1-yl)methanone
CID 81092592
(3,5-dimethoxyphenyl)-[4-(1,3-dioxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 122135627
(3-methoxyphenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone
CID 119930350
(3-amino-5-ethoxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 81089765
(2-bromo-5-methoxyphenyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
CID 55885511
[4-(3,5-diaminobenzoyl)piperazin-1-yl]-(3,5-diaminophenyl)methanone
CID 58291381
[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-(3-methoxyphenyl)methanone;oxalic acid
CID 17385000
(3-amino-5-ethoxyphenyl)-(4-methylazepan-1-yl)methanone
CID 81092691
1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]propan-1-one
CID 32823717

Frequently Asked Questions

What is the IUPAC name of (3-amino-5-methoxyphenyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (3-amino-5-methoxyphenyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone (CID 81093481) is (3-amino-5-methoxyphenyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-amino-5-methoxyphenyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (3-amino-5-methoxyphenyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone is COc1cc(N)cc(C(=O)N2CCN(CC3CC3)CC2)c1.
What is the InChIKey of (3-amino-5-methoxyphenyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone?
The InChIKey is WCPYYXWIGQVCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-21-15-9-13(8-14(17)10-15)16(20)19-6-4-18(5-7-19)11-12-2-3-12/h8-10,12H,2-7,11,17H2,1H3.
What are the key properties of (3-amino-5-methoxyphenyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone?
(3-amino-5-methoxyphenyl)-[4-(cyclopropylmethyl)piperazin-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 (3-amino-5-methoxyphenyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 81093481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).