[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone

C16H25N3O2 — CID 63341043

IUPAC[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCN(C(C)(C)CN)CC2)cc1
InChIInChI=1S/C16H25N3O2/c1-16(2,12-17)19-10-8-18(9-11-19)15(20)13-4-6-14(21-3)7-5-13/h4-7H,8-12,17H2,1-3H3
InChIKeyKRNFXRCDGPXTQE-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.19
Rot. Bonds4

About [4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone

[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone (PubChem CID 63341043) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is [4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone
PubChem CID63341043
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCN(C(C)(C)CN)CC2)cc1
InChIInChI=1S/C16H25N3O2/c1-16(2,12-17)19-10-8-18(9-11-19)15(20)13-4-6-14(21-3)7-5-13/h4-7H,8-12,17H2,1-3H3
InChIKeyKRNFXRCDGPXTQE-UHFFFAOYSA-N
XLogP1.19
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-phenylmethanone
CID 63341086
[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(4-ethylphenyl)methanone
CID 63340870
2-amino-1-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-methylpentan-1-one
CID 119710130
[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 63340998
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-amine
CID 9161464
1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 48867812
(4-methoxyphenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 18152974
[4-(4-methoxybenzoyl)piperazin-1-yl]-[4-[(4-methylphenoxy)methyl]phenyl]methanone
CID 87055955
[4-[4-(aminomethyl)oxane-4-carbonyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 120922370
(4-methoxyphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 6467901

Frequently Asked Questions

What is the IUPAC name of [4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone (CID 63341043) is [4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)N2CCN(C(C)(C)CN)CC2)cc1.
What is the InChIKey of [4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone?
The InChIKey is KRNFXRCDGPXTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-16(2,12-17)19-10-8-18(9-11-19)15(20)13-4-6-14(21-3)7-5-13/h4-7H,8-12,17H2,1-3H3.
What are the key properties of [4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone?
[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone has a molecular weight of 291.40 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 63341043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).