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

C14H22FN5O — CID 72926021

IUPACN-[[1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(c2ncc(F)c(N(C)C)n2)CC1
InChIInChI=1S/C14H22FN5O/c1-10(21)16-8-11-4-6-20(7-5-11)14-17-9-12(15)13(18-14)19(2)3/h9,11H,4-8H2,1-3H3,(H,16,21)
InChIKeyOCTRODZPIHZOOY-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.03
Rot. Bonds4

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

N-[[1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-4-yl]methyl]acetamide (PubChem CID 72926021) has the molecular formula C14H22FN5O and a molecular weight of 295.36 g/mol. Its IUPAC name is N-[[1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-4-yl]methyl]acetamide
PubChem CID72926021
Molecular FormulaC14H22FN5O
Molecular Weight295.36 g/mol
Exact Mass295.18
IUPAC NameN-[[1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(c2ncc(F)c(N(C)C)n2)CC1
InChIInChI=1S/C14H22FN5O/c1-10(21)16-8-11-4-6-20(7-5-11)14-17-9-12(15)13(18-14)19(2)3/h9,11H,4-8H2,1-3H3,(H,16,21)
InChIKeyOCTRODZPIHZOOY-UHFFFAOYSA-N
XLogP1.03
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(pyrimidin-2-yl)piperidin-4-yl]acetamide
CID 47208637
2-{1-[2-(Methylamino)pyrimidin-4-YL]piperidin-4-YL}-N-(3-methylbutyl)acetamide
CID 53189388
Tert-butyl 4-[[(2-aminopyrimidin-4-yl)amino]methyl]piperidine-1-carboxylate
CID 49857007
N-Ethyl-1-(pyrimidin-2-yl)piperidine-4-carboxamide
CID 3224207
5-ethyl-2-methyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]pyrimidin-4-amine
CID 50977220
N-[2-(pyrimidin-2-ylamino)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 53501242
3-[(3S,4R)-1-(5-fluoropyrimidin-2-yl)-4-propan-2-ylpyrrolidin-3-yl]-1,1-dimethylurea
CID 72908687
8-(5-Fluoropyrimidin-2-yl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one
CID 97385434
2-{1-[2-(Ethylamino)pyrimidin-4-YL]piperidin-4-YL}-N-isobutylacetamide
CID 53189293
N-methyl-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide
CID 53189393
Carbamic acid, N-(1-(2-chloro-5-fluoro-4-pyrimidinyl)-4-piperidinyl)-, 1,1-dimethylethyl ester
CID 56763778
N-butan-2-yl-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 3223139

Frequently Asked Questions

What is the IUPAC name of N-[[1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-4-yl]methyl]acetamide (CID 72926021) is N-[[1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-4-yl]methyl]acetamide is CC(=O)NCC1CCN(c2ncc(F)c(N(C)C)n2)CC1.
What is the InChIKey of N-[[1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-4-yl]methyl]acetamide?
The InChIKey is OCTRODZPIHZOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN5O/c1-10(21)16-8-11-4-6-20(7-5-11)14-17-9-12(15)13(18-14)19(2)3/h9,11H,4-8H2,1-3H3,(H,16,21).
What are the key properties of N-[[1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-4-yl]methyl]acetamide?
N-[[1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-4-yl]methyl]acetamide has a molecular weight of 295.36 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 72926021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).