1-[4-(pyrimidin-2-ylamino)piperidin-1-yl]propan-1-one

C12H18N4O — CID 176934296

IUPAC1-[4-(pyrimidin-2-ylamino)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(Nc2ncccn2)CC1
InChIInChI=1S/C12H18N4O/c1-2-11(17)16-8-4-10(5-9-16)15-12-13-6-3-7-14-12/h3,6-7,10H,2,4-5,8-9H2,1H3,(H,13,14,15)
InChIKeyCLALZXUGAMTAFU-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.29
Rot. Bonds3

About 1-[4-(pyrimidin-2-ylamino)piperidin-1-yl]propan-1-one

1-[4-(pyrimidin-2-ylamino)piperidin-1-yl]propan-1-one (PubChem CID 176934296) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-[4-(pyrimidin-2-ylamino)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(pyrimidin-2-ylamino)piperidin-1-yl]propan-1-one
PubChem CID176934296
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name1-[4-(pyrimidin-2-ylamino)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(Nc2ncccn2)CC1
InChIInChI=1S/C12H18N4O/c1-2-11(17)16-8-4-10(5-9-16)15-12-13-6-3-7-14-12/h3,6-7,10H,2,4-5,8-9H2,1H3,(H,13,14,15)
InChIKeyCLALZXUGAMTAFU-UHFFFAOYSA-N
XLogP1.29
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(azocan-1-yl)-1-[4-(pyrimidin-2-ylamino)piperidin-1-yl]propan-1-one
CID 46998378
N-(1-ethylpiperidin-4-yl)pyrimidin-2-amine
CID 60667166
tert-butyl 4-(pyrimidin-2-ylamino)piperidine-1-carboxylate
CID 2763949
1-[4-[[5-chloro-4-(3-phenylphenyl)pyrimidin-2-yl]amino]piperidin-1-yl]propan-1-one
CID 172590781
tert-butyl (3S)-3-(pyrimidin-2-ylamino)pyrrolidine-1-carboxylate
CID 71301820
1-[4-(ethylamino)piperidin-1-yl]propan-1-one
CID 60818400
N-(1-iodopiperidin-4-yl)pyrimidin-2-amine
CID 164956065
1-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl]propan-1-one
CID 122568954
2-(4-propanoyl-1,4-diazepan-1-yl)-N-pyrimidin-2-ylpropanamide
CID 78904136
N-cyclobutylpyrimidin-2-amine
CID 45080152
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915
1-[4-[3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]azepan-1-yl]piperidin-1-yl]propan-1-one
CID 66903973

Frequently Asked Questions

What is the IUPAC name of 1-[4-(pyrimidin-2-ylamino)piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[4-(pyrimidin-2-ylamino)piperidin-1-yl]propan-1-one (CID 176934296) is 1-[4-(pyrimidin-2-ylamino)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-(pyrimidin-2-ylamino)piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-(pyrimidin-2-ylamino)piperidin-1-yl]propan-1-one is CCC(=O)N1CCC(Nc2ncccn2)CC1.
What is the InChIKey of 1-[4-(pyrimidin-2-ylamino)piperidin-1-yl]propan-1-one?
The InChIKey is CLALZXUGAMTAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-2-11(17)16-8-4-10(5-9-16)15-12-13-6-3-7-14-12/h3,6-7,10H,2,4-5,8-9H2,1H3,(H,13,14,15).
What are the key properties of 1-[4-(pyrimidin-2-ylamino)piperidin-1-yl]propan-1-one?
1-[4-(pyrimidin-2-ylamino)piperidin-1-yl]propan-1-one has a molecular weight of 234.30 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(pyrimidin-2-ylamino)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 176934296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).