N-(4-fluorophenyl)-4-[[1-[(2S)-spiro[2.3]hexane-2-carbonyl]piperidin-4-yl]methyl]pyrimidine-5-carboxamide

C24H27FN4O2 — CID 92637846

IUPACN-(4-fluorophenyl)-4-[[1-[(2S)-spiro[2.3]hexane-2-carbonyl]piperidin-4-yl]methyl]pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cncnc1CC1CCN(C(=O)[C@H]2CC23CCC3)CC1
InChIInChI=1S/C24H27FN4O2/c25-17-2-4-18(5-3-17)28-22(30)19-14-26-15-27-21(19)12-16-6-10-29(11-7-16)23(31)20-13-24(20)8-1-9-24/h2-5,14-16,20H,1,6-13H2,(H,28,30)/t20-/m1/s1
InChIKeyZOJAAZLLDFGUQB-HXUWFJFHSA-N
MW422.50 g/mol
LogP3.84
Rot. Bonds5

About N-(4-fluorophenyl)-4-[[1-[(2S)-spiro[2.3]hexane-2-carbonyl]piperidin-4-yl]methyl]pyrimidine-5-carboxamide

N-(4-fluorophenyl)-4-[[1-[(2S)-spiro[2.3]hexane-2-carbonyl]piperidin-4-yl]methyl]pyrimidine-5-carboxamide (PubChem CID 92637846) has the molecular formula C24H27FN4O2 and a molecular weight of 422.50 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-[[1-[(2S)-spiro[2.3]hexane-2-carbonyl]piperidin-4-yl]methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-[[1-[(2S)-spiro[2.3]hexane-2-carbonyl]piperidin-4-yl]methyl]pyrimidine-5-carboxamide
PubChem CID92637846
Molecular FormulaC24H27FN4O2
Molecular Weight422.50 g/mol
Exact Mass422.21
IUPAC NameN-(4-fluorophenyl)-4-[[1-[(2S)-spiro[2.3]hexane-2-carbonyl]piperidin-4-yl]methyl]pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cncnc1CC1CCN(C(=O)[C@H]2CC23CCC3)CC1
InChIInChI=1S/C24H27FN4O2/c25-17-2-4-18(5-3-17)28-22(30)19-14-26-15-27-21(19)12-16-6-10-29(11-7-16)23(31)20-13-24(20)8-1-9-24/h2-5,14-16,20H,1,6-13H2,(H,28,30)/t20-/m1/s1
InChIKeyZOJAAZLLDFGUQB-HXUWFJFHSA-N
XLogP3.84
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[1-(2-cyclopentylacetyl)piperidin-4-yl]methyl]-N-(4-fluorophenyl)-1-methylpyrazole-4-carboxamide
CID 92636806
N-(4-fluorophenyl)-1-methyl-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 95815275
N-(4-fluorophenyl)-1-methyl-3-[[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 92636802
N-(4-fluorophenyl)-1-methyl-3-[[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 92637540
3-[[1-(2-acetamidoacetyl)piperidin-4-yl]methyl]-N-(4-fluorophenyl)-1-methylpyrazole-4-carboxamide
CID 92636807
4-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]-N-(1,3-thiazol-2-yl)pyrimidine-5-carboxamide
CID 92637775
N-[(4-fluorophenyl)methyl]-1-methyl-3-[[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 92637458
N-(4-fluorophenyl)-4-phenylpyrimidine-5-carboxamide
CID 110858718
4-[[1-[(1R)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]methyl]-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 92637692
[4-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-spiro[2.3]hexan-2-ylmethanone
CID 110264183
N-[4-chloro-3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]phenyl]pyrazine-2-carboxamide
CID 24995162
N-(4-fluorophenyl)-4-(methoxymethyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 75538788

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-[[1-[(2S)-spiro[2.3]hexane-2-carbonyl]piperidin-4-yl]methyl]pyrimidine-5-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-4-[[1-[(2S)-spiro[2.3]hexane-2-carbonyl]piperidin-4-yl]methyl]pyrimidine-5-carboxamide (CID 92637846) is N-(4-fluorophenyl)-4-[[1-[(2S)-spiro[2.3]hexane-2-carbonyl]piperidin-4-yl]methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-[[1-[(2S)-spiro[2.3]hexane-2-carbonyl]piperidin-4-yl]methyl]pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-4-[[1-[(2S)-spiro[2.3]hexane-2-carbonyl]piperidin-4-yl]methyl]pyrimidine-5-carboxamide is O=C(Nc1ccc(F)cc1)c1cncnc1CC1CCN(C(=O)[C@H]2CC23CCC3)CC1.
What is the InChIKey of N-(4-fluorophenyl)-4-[[1-[(2S)-spiro[2.3]hexane-2-carbonyl]piperidin-4-yl]methyl]pyrimidine-5-carboxamide?
The InChIKey is ZOJAAZLLDFGUQB-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H27FN4O2/c25-17-2-4-18(5-3-17)28-22(30)19-14-26-15-27-21(19)12-16-6-10-29(11-7-16)23(31)20-13-24(20)8-1-9-24/h2-5,14-16,20H,1,6-13H2,(H,28,30)/t20-/m1/s1.
What are the key properties of N-(4-fluorophenyl)-4-[[1-[(2S)-spiro[2.3]hexane-2-carbonyl]piperidin-4-yl]methyl]pyrimidine-5-carboxamide?
N-(4-fluorophenyl)-4-[[1-[(2S)-spiro[2.3]hexane-2-carbonyl]piperidin-4-yl]methyl]pyrimidine-5-carboxamide has a molecular weight of 422.50 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-[[1-[(2S)-spiro[2.3]hexane-2-carbonyl]piperidin-4-yl]methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 92637846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).