[1-(3-amino-4-pyridinyl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone

C16H25N5O — CID 90205765

IUPAC[1-(3-amino-4-pyridinyl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)C2CCN(c3ccncc3N)CC2)CC1
InChIInChI=1S/C16H25N5O/c1-19-8-10-21(11-9-19)16(22)13-3-6-20(7-4-13)15-2-5-18-12-14(15)17/h2,5,12-13H,3-4,6-11,17H2,1H3
InChIKeySWBMOEHJGIKARZ-UHFFFAOYSA-N
MW303.41 g/mol
LogP0.65
Rot. Bonds2

About [1-(3-amino-4-pyridinyl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone

[1-(3-amino-4-pyridinyl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 90205765) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is [1-(3-amino-4-pyridinyl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-(3-amino-4-pyridinyl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID90205765
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name[1-(3-amino-4-pyridinyl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)C2CCN(c3ccncc3N)CC2)CC1
InChIInChI=1S/C16H25N5O/c1-19-8-10-21(11-9-19)16(22)13-3-6-20(7-4-13)15-2-5-18-12-14(15)17/h2,5,12-13H,3-4,6-11,17H2,1H3
InChIKeySWBMOEHJGIKARZ-UHFFFAOYSA-N
XLogP0.65
TPSA65.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(3-amino-4-pyridinyl)piperazin-1-yl]-cyclopentylmethanone
CID 43462423
[4-(3-amino-4-pyridinyl)piperazin-1-yl]-cyclobutylmethanone
CID 43462424
[1-(5-aminopyrimidin-4-yl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 140653092
1-[4-(3-amino-4-pyridinyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 43462396
4-[4-(dimethylamino)piperidin-1-yl]pyridin-3-amine
CID 43585737
[4-(3-amino-4-pyridinyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 43462403
[1-[3-(hydroxymethyl)-4-pyridinyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 136568171
[1-(5-amino-3-chloro-1,2,3,6-tetrahydropyridin-4-yl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 163483397
4-piperidin-1-ylpyridin-3-amine;dihydrochloride
CID 86277783
[4-(3-amino-4-pyridinyl)piperazin-1-yl]-(5-methylfuran-3-yl)methanone
CID 114818622
tert-butyl N-[1-(3-amino-4-pyridinyl)piperidin-4-yl]carbamate
CID 59332173
4-(azetidin-1-yl)pyridin-3-amine
CID 115011771

Frequently Asked Questions

What is the IUPAC name of [1-(3-amino-4-pyridinyl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [1-(3-amino-4-pyridinyl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone (CID 90205765) is [1-(3-amino-4-pyridinyl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-(3-amino-4-pyridinyl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [1-(3-amino-4-pyridinyl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)C2CCN(c3ccncc3N)CC2)CC1.
What is the InChIKey of [1-(3-amino-4-pyridinyl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is SWBMOEHJGIKARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-19-8-10-21(11-9-19)16(22)13-3-6-20(7-4-13)15-2-5-18-12-14(15)17/h2,5,12-13H,3-4,6-11,17H2,1H3.
What are the key properties of [1-(3-amino-4-pyridinyl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone?
[1-(3-amino-4-pyridinyl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 303.41 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-amino-4-pyridinyl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 90205765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).