3-[1-(5-ethylpyrimidin-2-yl)piperidin-3-yl]propanamide

C14H22N4O — CID 72927654

IUPAC3-[1-(5-ethylpyrimidin-2-yl)piperidin-3-yl]propanamide
SMILESCCc1cnc(N2CCCC(CCC(N)=O)C2)nc1
InChIInChI=1S/C14H22N4O/c1-2-11-8-16-14(17-9-11)18-7-3-4-12(10-18)5-6-13(15)19/h8-9,12H,2-7,10H2,1H3,(H2,15,19)
InChIKeyVQNHBBDDHBHZCA-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.52
Rot. Bonds5

About 3-[1-(5-ethylpyrimidin-2-yl)piperidin-3-yl]propanamide

3-[1-(5-ethylpyrimidin-2-yl)piperidin-3-yl]propanamide (PubChem CID 72927654) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 3-[1-(5-ethylpyrimidin-2-yl)piperidin-3-yl]propanamide.

Molecular Properties

Compound Name3-[1-(5-ethylpyrimidin-2-yl)piperidin-3-yl]propanamide
PubChem CID72927654
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name3-[1-(5-ethylpyrimidin-2-yl)piperidin-3-yl]propanamide
SMILESCCc1cnc(N2CCCC(CCC(N)=O)C2)nc1
InChIInChI=1S/C14H22N4O/c1-2-11-8-16-14(17-9-11)18-7-3-4-12(10-18)5-6-13(15)19/h8-9,12H,2-7,10H2,1H3,(H2,15,19)
InChIKeyVQNHBBDDHBHZCA-UHFFFAOYSA-N
XLogP1.52
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(6-methylpyrazin-2-yl)piperidin-3-yl]propanamide
CID 133469915
3-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]propanoic acid
CID 104605891
2-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]acetamide
CID 133355987
1-(5-ethylpyrimidin-2-yl)-N-methylpiperidin-3-amine
CID 116976178
N-cyclopropyl-1-(5-ethylpyrimidin-2-yl)piperidine-3-carboxamide
CID 166600796
5-ethyl-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine
CID 163354137
3-[(3R)-1-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinazolin-2-yl)piperidin-3-yl]propanamide
CID 95205397
3-[(3S)-1-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinazolin-2-yl)piperidin-3-yl]propanamide
CID 95205398
3-[1-(2-amino-5-butyl-6-methylpyrimidin-4-yl)piperidin-3-yl]propanamide
CID 72939716
3-[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-3-yl]propanamide
CID 133294209
3-[(3R)-1-[(2-ethylphenyl)methyl]piperidin-3-yl]propanamide
CID 95716606
(7aR)-2-(5-ethylpyrimidin-2-yl)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine
CID 66837618

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-ethylpyrimidin-2-yl)piperidin-3-yl]propanamide?
The IUPAC name of 3-[1-(5-ethylpyrimidin-2-yl)piperidin-3-yl]propanamide (CID 72927654) is 3-[1-(5-ethylpyrimidin-2-yl)piperidin-3-yl]propanamide.
What is the SMILES notation for 3-[1-(5-ethylpyrimidin-2-yl)piperidin-3-yl]propanamide?
The canonical SMILES for 3-[1-(5-ethylpyrimidin-2-yl)piperidin-3-yl]propanamide is CCc1cnc(N2CCCC(CCC(N)=O)C2)nc1.
What is the InChIKey of 3-[1-(5-ethylpyrimidin-2-yl)piperidin-3-yl]propanamide?
The InChIKey is VQNHBBDDHBHZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-2-11-8-16-14(17-9-11)18-7-3-4-12(10-18)5-6-13(15)19/h8-9,12H,2-7,10H2,1H3,(H2,15,19).
What are the key properties of 3-[1-(5-ethylpyrimidin-2-yl)piperidin-3-yl]propanamide?
3-[1-(5-ethylpyrimidin-2-yl)piperidin-3-yl]propanamide has a molecular weight of 262.36 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-ethylpyrimidin-2-yl)piperidin-3-yl]propanamide is sourced from PubChem (CID 72927654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).