6-[[(3S)-1-(3-fluorobenzoyl)piperidin-3-yl]methyl]-N-methylpyrimidine-4-carboxamide

C19H21FN4O2 — CID 124996307

IUPAC6-[[(3S)-1-(3-fluorobenzoyl)piperidin-3-yl]methyl]-N-methylpyrimidine-4-carboxamide
SMILESCNC(=O)c1cc(C[C@@H]2CCCN(C(=O)c3cccc(F)c3)C2)ncn1
InChIInChI=1S/C19H21FN4O2/c1-21-18(25)17-10-16(22-12-23-17)8-13-4-3-7-24(11-13)19(26)14-5-2-6-15(20)9-14/h2,5-6,9-10,12-13H,3-4,7-8,11H2,1H3,(H,21,25)/t13-/m0/s1
InChIKeyQRZWWPBTEDNLMV-ZDUSSCGKSA-N
MW356.40 g/mol
LogP2.07
Rot. Bonds4

About 6-[[(3S)-1-(3-fluorobenzoyl)piperidin-3-yl]methyl]-N-methylpyrimidine-4-carboxamide

6-[[(3S)-1-(3-fluorobenzoyl)piperidin-3-yl]methyl]-N-methylpyrimidine-4-carboxamide (PubChem CID 124996307) has the molecular formula C19H21FN4O2 and a molecular weight of 356.40 g/mol. Its IUPAC name is 6-[[(3S)-1-(3-fluorobenzoyl)piperidin-3-yl]methyl]-N-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[[(3S)-1-(3-fluorobenzoyl)piperidin-3-yl]methyl]-N-methylpyrimidine-4-carboxamide
PubChem CID124996307
Molecular FormulaC19H21FN4O2
Molecular Weight356.40 g/mol
Exact Mass356.16
IUPAC Name6-[[(3S)-1-(3-fluorobenzoyl)piperidin-3-yl]methyl]-N-methylpyrimidine-4-carboxamide
SMILESCNC(=O)c1cc(C[C@@H]2CCCN(C(=O)c3cccc(F)c3)C2)ncn1
InChIInChI=1S/C19H21FN4O2/c1-21-18(25)17-10-16(22-12-23-17)8-13-4-3-7-24(11-13)19(26)14-5-2-6-15(20)9-14/h2,5-6,9-10,12-13H,3-4,7-8,11H2,1H3,(H,21,25)/t13-/m0/s1
InChIKeyQRZWWPBTEDNLMV-ZDUSSCGKSA-N
XLogP2.07
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-6-[[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide
CID 125001293
6-[[(4S)-1-[2-[(2-fluorophenyl)methyl]pyridine-4-carbonyl]azepan-4-yl]methyl]-N-methylpyrimidine-4-carboxamide
CID 124993100
[(3S)-3-[[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-(3-fluorophenyl)methanone
CID 125006454
(3-fluorophenyl)-[(3S)-3-[[6-(1-methylimidazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]methanone
CID 125007681
[3-(2-aminoethyl)piperidin-1-yl]-(3-fluorophenyl)methanone
CID 63767654
(3-fluorophenyl)-[4-methyl-4-[(3R)-3-(pyridin-2-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]methanone
CID 124985103
(3-fluorophenyl)-[3-(phenoxymethyl)piperidin-1-yl]methanone
CID 110638403
N-methyl-6-[[(3R)-1-(oxan-4-yl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide
CID 124991520
6-[[(4S)-1-benzoylazepan-4-yl]methyl]pyrimidine-4-carboxamide
CID 124986245
2-[[1-(3-fluorobenzoyl)pyrrolidin-3-yl]methyl]-1,3-thiazole-4-carboxylic acid
CID 166317610
(3-methoxyphenyl)-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
CID 124968475
2-[2-[(3R)-1-(3-fluorobenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-methylacetamide
CID 124967312

Frequently Asked Questions

What is the IUPAC name of 6-[[(3S)-1-(3-fluorobenzoyl)piperidin-3-yl]methyl]-N-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-[[(3S)-1-(3-fluorobenzoyl)piperidin-3-yl]methyl]-N-methylpyrimidine-4-carboxamide (CID 124996307) is 6-[[(3S)-1-(3-fluorobenzoyl)piperidin-3-yl]methyl]-N-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-[[(3S)-1-(3-fluorobenzoyl)piperidin-3-yl]methyl]-N-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-[[(3S)-1-(3-fluorobenzoyl)piperidin-3-yl]methyl]-N-methylpyrimidine-4-carboxamide is CNC(=O)c1cc(C[C@@H]2CCCN(C(=O)c3cccc(F)c3)C2)ncn1.
What is the InChIKey of 6-[[(3S)-1-(3-fluorobenzoyl)piperidin-3-yl]methyl]-N-methylpyrimidine-4-carboxamide?
The InChIKey is QRZWWPBTEDNLMV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H21FN4O2/c1-21-18(25)17-10-16(22-12-23-17)8-13-4-3-7-24(11-13)19(26)14-5-2-6-15(20)9-14/h2,5-6,9-10,12-13H,3-4,7-8,11H2,1H3,(H,21,25)/t13-/m0/s1.
What are the key properties of 6-[[(3S)-1-(3-fluorobenzoyl)piperidin-3-yl]methyl]-N-methylpyrimidine-4-carboxamide?
6-[[(3S)-1-(3-fluorobenzoyl)piperidin-3-yl]methyl]-N-methylpyrimidine-4-carboxamide has a molecular weight of 356.40 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3S)-1-(3-fluorobenzoyl)piperidin-3-yl]methyl]-N-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 124996307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).