2-(4-methylpiperazin-1-yl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide

C16H26N6O — CID 140936797

IUPAC2-(4-methylpiperazin-1-yl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
SMILESCN1CCN(CC(=O)NC2CCN(c3ncccn3)CC2)CC1
InChIInChI=1S/C16H26N6O/c1-20-9-11-21(12-10-20)13-15(23)19-14-3-7-22(8-4-14)16-17-5-2-6-18-16/h2,5-6,14H,3-4,7-13H2,1H3,(H,19,23)
InChIKeyVPIWCMCNJQLYMU-UHFFFAOYSA-N
MW318.42 g/mol
LogP-0.19
Rot. Bonds4

About 2-(4-methylpiperazin-1-yl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide

2-(4-methylpiperazin-1-yl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide (PubChem CID 140936797) has the molecular formula C16H26N6O and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
PubChem CID140936797
Molecular FormulaC16H26N6O
Molecular Weight318.42 g/mol
Exact Mass318.22
IUPAC Name2-(4-methylpiperazin-1-yl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
SMILESCN1CCN(CC(=O)NC2CCN(c3ncccn3)CC2)CC1
InChIInChI=1S/C16H26N6O/c1-20-9-11-21(12-10-20)13-15(23)19-14-3-7-22(8-4-14)16-17-5-2-6-18-16/h2,5-6,14H,3-4,7-13H2,1H3,(H,19,23)
InChIKeyVPIWCMCNJQLYMU-UHFFFAOYSA-N
XLogP-0.19
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 8542887
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 11929363
(3S)-3-cyclohexyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)butanamide
CID 94816783
2-(4-phenylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 55721980
2-(4-methylpiperazin-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 108995384
N-[1-[5-[2-(4-methoxyphenyl)phenyl]-2-pyridinyl]piperidin-4-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 172890771
2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 47035376
2-[2-oxo-2-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]ethyl]sulfanylacetic acid
CID 104569240
2-(methylamino)-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide
CID 62639471
2-amino-2-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide
CID 61265591
2-amino-N-[2-oxo-2-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]ethyl]acetamide
CID 60846789
N-ethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 27104437

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide (CID 140936797) is 2-(4-methylpiperazin-1-yl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide is CN1CCN(CC(=O)NC2CCN(c3ncccn3)CC2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide?
The InChIKey is VPIWCMCNJQLYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O/c1-20-9-11-21(12-10-20)13-15(23)19-14-3-7-22(8-4-14)16-17-5-2-6-18-16/h2,5-6,14H,3-4,7-13H2,1H3,(H,19,23).
What are the key properties of 2-(4-methylpiperazin-1-yl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide?
2-(4-methylpiperazin-1-yl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide has a molecular weight of 318.42 g/mol, XLogP of -0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide is sourced from PubChem (CID 140936797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).