N-(4-fluoro-2-methylphenyl)-3-[1-(6-oxo-1H-pyrimidine-5-carbonyl)piperidin-3-yl]propanamide

C20H23FN4O3 — CID 72857419

IUPACN-(4-fluoro-2-methylphenyl)-3-[1-(6-oxo-1H-pyrimidine-5-carbonyl)piperidin-3-yl]propanamide
SMILESCc1cc(F)ccc1NC(=O)CCC1CCCN(C(=O)c2cnc[nH]c2=O)C1
InChIInChI=1S/C20H23FN4O3/c1-13-9-15(21)5-6-17(13)24-18(26)7-4-14-3-2-8-25(11-14)20(28)16-10-22-12-23-19(16)27/h5-6,9-10,12,14H,2-4,7-8,11H2,1H3,(H,24,26)(H,22,23,27)
InChIKeyJTQHAKYHMHCPFY-UHFFFAOYSA-N
MW386.43 g/mol
LogP2.49
Rot. Bonds5

About N-(4-fluoro-2-methylphenyl)-3-[1-(6-oxo-1H-pyrimidine-5-carbonyl)piperidin-3-yl]propanamide

N-(4-fluoro-2-methylphenyl)-3-[1-(6-oxo-1H-pyrimidine-5-carbonyl)piperidin-3-yl]propanamide (PubChem CID 72857419) has the molecular formula C20H23FN4O3 and a molecular weight of 386.43 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)-3-[1-(6-oxo-1H-pyrimidine-5-carbonyl)piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)-3-[1-(6-oxo-1H-pyrimidine-5-carbonyl)piperidin-3-yl]propanamide
PubChem CID72857419
Molecular FormulaC20H23FN4O3
Molecular Weight386.43 g/mol
Exact Mass386.18
IUPAC NameN-(4-fluoro-2-methylphenyl)-3-[1-(6-oxo-1H-pyrimidine-5-carbonyl)piperidin-3-yl]propanamide
SMILESCc1cc(F)ccc1NC(=O)CCC1CCCN(C(=O)c2cnc[nH]c2=O)C1
InChIInChI=1S/C20H23FN4O3/c1-13-9-15(21)5-6-17(13)24-18(26)7-4-14-3-2-8-25(11-14)20(28)16-10-22-12-23-19(16)27/h5-6,9-10,12,14H,2-4,7-8,11H2,1H3,(H,24,26)(H,22,23,27)
InChIKeyJTQHAKYHMHCPFY-UHFFFAOYSA-N
XLogP2.49
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluoro-2-methylphenyl)-3-[1-(1H-indazole-3-carbonyl)piperidin-3-yl]propanamide
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CID 42392284
3-[1-(4-acetamidobenzoyl)piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide
CID 45241928
3-[(3R)-1-(cyclopentene-1-carbonyl)piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide
CID 26410657
3-[(3R)-1-(2,3-dimethoxybenzoyl)piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide
CID 25302828
N-(4-fluoro-2-methylphenyl)-3-[(3R)-1-(3-hydroxypyridine-2-carbonyl)piperidin-3-yl]propanamide
CID 97269258
3-[1-(2,2-dimethyl-4-oxo-3H-pyran-6-carbonyl)piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide
CID 45243077
3-[1-[2-(azepan-1-yl)acetyl]piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide
CID 45179339
3-[(3S)-1-[2-(azepan-1-yl)acetyl]piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide
CID 42286411
5-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 95549172
N-(4-fluoro-2-methylphenyl)-3-[1-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)piperidin-3-yl]propanamide
CID 45183724
(4-fluoro-2-methylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)-3-[1-(6-oxo-1H-pyrimidine-5-carbonyl)piperidin-3-yl]propanamide?
The IUPAC name of N-(4-fluoro-2-methylphenyl)-3-[1-(6-oxo-1H-pyrimidine-5-carbonyl)piperidin-3-yl]propanamide (CID 72857419) is N-(4-fluoro-2-methylphenyl)-3-[1-(6-oxo-1H-pyrimidine-5-carbonyl)piperidin-3-yl]propanamide.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)-3-[1-(6-oxo-1H-pyrimidine-5-carbonyl)piperidin-3-yl]propanamide?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)-3-[1-(6-oxo-1H-pyrimidine-5-carbonyl)piperidin-3-yl]propanamide is Cc1cc(F)ccc1NC(=O)CCC1CCCN(C(=O)c2cnc[nH]c2=O)C1.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)-3-[1-(6-oxo-1H-pyrimidine-5-carbonyl)piperidin-3-yl]propanamide?
The InChIKey is JTQHAKYHMHCPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O3/c1-13-9-15(21)5-6-17(13)24-18(26)7-4-14-3-2-8-25(11-14)20(28)16-10-22-12-23-19(16)27/h5-6,9-10,12,14H,2-4,7-8,11H2,1H3,(H,24,26)(H,22,23,27).
What are the key properties of N-(4-fluoro-2-methylphenyl)-3-[1-(6-oxo-1H-pyrimidine-5-carbonyl)piperidin-3-yl]propanamide?
N-(4-fluoro-2-methylphenyl)-3-[1-(6-oxo-1H-pyrimidine-5-carbonyl)piperidin-3-yl]propanamide has a molecular weight of 386.43 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methylphenyl)-3-[1-(6-oxo-1H-pyrimidine-5-carbonyl)piperidin-3-yl]propanamide is sourced from PubChem (CID 72857419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).