3-(dimethylamino)-N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]benzamide

C19H24FN5O — CID 91814088

IUPAC3-(dimethylamino)-N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]benzamide
SMILESCN(C)c1cccc(C(=O)NCC2CCN(c3ncc(F)cn3)CC2)c1
InChIInChI=1S/C19H24FN5O/c1-24(2)17-5-3-4-15(10-17)18(26)21-11-14-6-8-25(9-7-14)19-22-12-16(20)13-23-19/h3-5,10,12-14H,6-9,11H2,1-2H3,(H,21,26)
InChIKeyIXNKBVPUPNDGBN-UHFFFAOYSA-N
MW357.43 g/mol
LogP2.33
Rot. Bonds5

About 3-(dimethylamino)-N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]benzamide

3-(dimethylamino)-N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]benzamide (PubChem CID 91814088) has the molecular formula C19H24FN5O and a molecular weight of 357.43 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]benzamide
PubChem CID91814088
Molecular FormulaC19H24FN5O
Molecular Weight357.43 g/mol
Exact Mass357.20
IUPAC Name3-(dimethylamino)-N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]benzamide
SMILESCN(C)c1cccc(C(=O)NCC2CCN(c3ncc(F)cn3)CC2)c1
InChIInChI=1S/C19H24FN5O/c1-24(2)17-5-3-4-15(10-17)18(26)21-11-14-6-8-25(9-7-14)19-22-12-16(20)13-23-19/h3-5,10,12-14H,6-9,11H2,1-2H3,(H,21,26)
InChIKeyIXNKBVPUPNDGBN-UHFFFAOYSA-N
XLogP2.33
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-3-(dimethylamino)benzamide
CID 72716920
3-(dimethylamino)-N-[[1-[(3S)-thiolan-3-yl]piperidin-4-yl]methyl]benzamide
CID 100681580
N-[(3-aminocyclobutyl)methyl]-3-(dimethylamino)benzamide
CID 66006240
3-(dimethylamino)-N-(oxolan-3-ylmethyl)benzamide
CID 47179453
3-(dimethylamino)-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]benzamide
CID 94200759
N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]cyclobutanecarboxamide
CID 91814073
3-(dimethylamino)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide
CID 90634321
N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 91814118
1-(2,3-dimethoxyphenyl)-3-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]urea
CID 91814174
1-(3,4-dichlorophenyl)-3-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]urea
CID 91814176
3-fluoro-N-[[1-(2-oxoethyl)piperidin-4-yl]methyl]benzamide
CID 134423135
N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-N'-(4-propan-2-ylphenyl)oxamide
CID 91814160

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]benzamide?
The IUPAC name of 3-(dimethylamino)-N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]benzamide (CID 91814088) is 3-(dimethylamino)-N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]benzamide?
The canonical SMILES for 3-(dimethylamino)-N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]benzamide is CN(C)c1cccc(C(=O)NCC2CCN(c3ncc(F)cn3)CC2)c1.
What is the InChIKey of 3-(dimethylamino)-N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]benzamide?
The InChIKey is IXNKBVPUPNDGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN5O/c1-24(2)17-5-3-4-15(10-17)18(26)21-11-14-6-8-25(9-7-14)19-22-12-16(20)13-23-19/h3-5,10,12-14H,6-9,11H2,1-2H3,(H,21,26).
What are the key properties of 3-(dimethylamino)-N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]benzamide?
3-(dimethylamino)-N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]benzamide has a molecular weight of 357.43 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 91814088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).