4-amino-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]butanamide

C15H25N5O — CID 119897919

IUPAC4-amino-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]butanamide
SMILESCCc1cc(N2CCC(NC(=O)CCCN)CC2)ncn1
InChIInChI=1S/C15H25N5O/c1-2-12-10-14(18-11-17-12)20-8-5-13(6-9-20)19-15(21)4-3-7-16/h10-11,13H,2-9,16H2,1H3,(H,19,21)
InChIKeyXHSSMTQPHOKBMW-UHFFFAOYSA-N
MW291.40 g/mol
LogP0.86
Rot. Bonds6

About 4-amino-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]butanamide

4-amino-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]butanamide (PubChem CID 119897919) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 4-amino-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]butanamide.

Molecular Properties

Compound Name4-amino-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]butanamide
PubChem CID119897919
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name4-amino-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]butanamide
SMILESCCc1cc(N2CCC(NC(=O)CCCN)CC2)ncn1
InChIInChI=1S/C15H25N5O/c1-2-12-10-14(18-11-17-12)20-8-5-13(6-9-20)19-15(21)4-3-7-16/h10-11,13H,2-9,16H2,1H3,(H,19,21)
InChIKeyXHSSMTQPHOKBMW-UHFFFAOYSA-N
XLogP0.86
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]butanamide;dihydrochloride
CID 119897918
7-amino-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]heptanamide
CID 119897857
2-amino-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]benzamide;dihydrochloride
CID 119947419
(2R)-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]piperidine-2-carboxamide;dihydrochloride
CID 119897858
N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-3-propan-2-yloxetane-3-carboxamide
CID 154785490
N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-1-phenylpyrrolidine-3-carboxamide
CID 136545875
N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-2-(methylamino)acetamide;hydrochloride
CID 120704514
N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]quinoline-2-carboxamide
CID 154803218
6-chloro-3-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]amino]pyridazine-4-carboxamide
CID 133358123
(2S)-2-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]amino]-2-phenylacetamide
CID 96525935
N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 136512439
N-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]methyl]ethanamine
CID 62593889

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]butanamide?
The IUPAC name of 4-amino-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]butanamide (CID 119897919) is 4-amino-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]butanamide.
What is the SMILES notation for 4-amino-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]butanamide?
The canonical SMILES for 4-amino-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]butanamide is CCc1cc(N2CCC(NC(=O)CCCN)CC2)ncn1.
What is the InChIKey of 4-amino-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]butanamide?
The InChIKey is XHSSMTQPHOKBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-2-12-10-14(18-11-17-12)20-8-5-13(6-9-20)19-15(21)4-3-7-16/h10-11,13H,2-9,16H2,1H3,(H,19,21).
What are the key properties of 4-amino-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]butanamide?
4-amino-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]butanamide has a molecular weight of 291.40 g/mol, XLogP of 0.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]butanamide is sourced from PubChem (CID 119897919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).