3-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide

C21H34FN5O — CID 72921630

IUPAC3-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
SMILESCCc1ncnc(N2CCCC(CCC(=O)N(C)C3CCN(C)CC3)C2)c1F
InChIInChI=1S/C21H34FN5O/c1-4-18-20(22)21(24-15-23-18)27-11-5-6-16(14-27)7-8-19(28)26(3)17-9-12-25(2)13-10-17/h15-17H,4-14H2,1-3H3
InChIKeyOEQWCVYHIRWFKP-UHFFFAOYSA-N
MW391.54 g/mol
LogP2.73
Rot. Bonds6

About 3-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide

3-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide (PubChem CID 72921630) has the molecular formula C21H34FN5O and a molecular weight of 391.54 g/mol. Its IUPAC name is 3-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name3-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
PubChem CID72921630
Molecular FormulaC21H34FN5O
Molecular Weight391.54 g/mol
Exact Mass391.27
IUPAC Name3-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
SMILESCCc1ncnc(N2CCCC(CCC(=O)N(C)C3CCN(C)CC3)C2)c1F
InChIInChI=1S/C21H34FN5O/c1-4-18-20(22)21(24-15-23-18)27-11-5-6-16(14-27)7-8-19(28)26(3)17-9-12-25(2)13-10-17/h15-17H,4-14H2,1-3H3
InChIKeyOEQWCVYHIRWFKP-UHFFFAOYSA-N
XLogP2.73
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.54
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-[2-(1-cyclohexenyl)ethyl]-4-methyl-5,8-dihydropyrido[2,3-d]pyrimidin-7(6H)-one
CID 53193739
1-[4-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]propan-1-one
CID 92621633
4-Methyl-8-propyl-5H,6H,7H,8H-pyrido[2,3-D]pyrimidin-7-one
CID 53193732
8-(cyclohexylmethyl)-4-methyl-5,8-dihydropyrido[2,3-d]pyrimidin-7(6H)-one
CID 53193748
4-Methyl-8-[2-(2-methylpiperidin-1-YL)ethyl]-5H,6H,7H,8H-pyrido[2,3-D]pyrimidin-7-one
CID 53193752
8-{2-[cyclohexyl(methyl)amino]ethyl}-4-methyl-5,8-dihydropyrido[2,3-d]pyrimidin-7(6H)-one
CID 53193753
9-(6-Cyclopropylpyrimidin-4-yl)-2-[2-(dimethylamino)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70764439
cyclopentyl-[4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 86772960
2-[(6-Ethyl-5-fluoropyrimidin-4-yl)amino]cyclohexane-1-carboxamide
CID 121583005
2,2-dimethyl-3-[(3R)-1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-3-yl]propanamide
CID 164636574
3-(6-amino-5-fluoropyrimidin-4-yl)-3-(cyclohexylmethylamino)-1-[(3R)-2-oxopiperidin-3-yl]piperidin-2-one
CID 67034691
1-[4-(6-Ethyl-5-propylpyrimidin-4-yl)piperazin-1-yl]-2-fluoroprop-2-en-1-one
CID 164131299

Frequently Asked Questions

What is the IUPAC name of 3-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide?
The IUPAC name of 3-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide (CID 72921630) is 3-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide.
What is the SMILES notation for 3-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide?
The canonical SMILES for 3-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide is CCc1ncnc(N2CCCC(CCC(=O)N(C)C3CCN(C)CC3)C2)c1F.
What is the InChIKey of 3-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide?
The InChIKey is OEQWCVYHIRWFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34FN5O/c1-4-18-20(22)21(24-15-23-18)27-11-5-6-16(14-27)7-8-19(28)26(3)17-9-12-25(2)13-10-17/h15-17H,4-14H2,1-3H3.
What are the key properties of 3-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide?
3-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide has a molecular weight of 391.54 g/mol, XLogP of 2.73, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide is sourced from PubChem (CID 72921630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).