N-[4-[[4-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-1-yl]methyl]phenyl]acetamide

C24H31N5O3 — CID 92640356

IUPACN-[4-[[4-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-1-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN2CCC(c3ncc(C(=O)N4CCOCC4)c(C)n3)CC2)cc1
InChIInChI=1S/C24H31N5O3/c1-17-22(24(31)29-11-13-32-14-12-29)15-25-23(26-17)20-7-9-28(10-8-20)16-19-3-5-21(6-4-19)27-18(2)30/h3-6,15,20H,7-14,16H2,1-2H3,(H,27,30)
InChIKeyHRTAMHBLXNOHLN-UHFFFAOYSA-N
MW437.54 g/mol
LogP2.60
Rot. Bonds5

About N-[4-[[4-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-1-yl]methyl]phenyl]acetamide

N-[4-[[4-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-1-yl]methyl]phenyl]acetamide (PubChem CID 92640356) has the molecular formula C24H31N5O3 and a molecular weight of 437.54 g/mol. Its IUPAC name is N-[4-[[4-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-1-yl]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-1-yl]methyl]phenyl]acetamide
PubChem CID92640356
Molecular FormulaC24H31N5O3
Molecular Weight437.54 g/mol
Exact Mass437.24
IUPAC NameN-[4-[[4-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-1-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN2CCC(c3ncc(C(=O)N4CCOCC4)c(C)n3)CC2)cc1
InChIInChI=1S/C24H31N5O3/c1-17-22(24(31)29-11-13-32-14-12-29)15-25-23(26-17)20-7-9-28(10-8-20)16-19-3-5-21(6-4-19)27-18(2)30/h3-6,15,20H,7-14,16H2,1-2H3,(H,27,30)
InChIKeyHRTAMHBLXNOHLN-UHFFFAOYSA-N
XLogP2.60
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-[[4-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-1-yl]methyl]phenyl]acetamide with MolForge

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Related Compounds

(4-benzylpiperazin-1-yl)-(2-cyclopropyl-4-methylpyrimidin-5-yl)methanone
CID 100752948
[2-[(3S)-1-[(4-chloro-3-fluorophenyl)methyl]piperidin-3-yl]-4-methylpyrimidin-5-yl]-morpholin-4-ylmethanone
CID 92639531
[4-methyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]pyrimidin-5-yl]-morpholin-4-ylmethanone
CID 92636049
N-[4-[[4-[(2-cyclopropylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]phenyl]acetamide
CID 172902381
1-[4-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 92636040
2-[1-[(2-ethylpyrimidin-5-yl)methyl]piperidin-4-yl]-N-(4-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
CID 92636697
2-[4-(dimethylamino)phenyl]-1-[3-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 110088765
cyclobutyl-[(3S)-3-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-1-yl]methanone
CID 92640304
cyclobutyl-[(3R)-3-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-1-yl]methanone
CID 92640303
N-(4-chlorophenyl)-4-methyl-2-[1-(2-morpholin-4-ylacetyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide
CID 110250685
4-amino-2-cyclopropyl-N-[4-methyl-3-(morpholine-4-carbonyl)phenyl]pyrimidine-5-carboxamide
CID 136542835
2-[1-[2-(azetidin-1-yl)-2-oxoethyl]piperidin-4-yl]-N-(4-chlorophenyl)-4-methylpyrimidine-5-carboxamide
CID 110084840

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-1-yl]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[4-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-1-yl]methyl]phenyl]acetamide (CID 92640356) is N-[4-[[4-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-1-yl]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[4-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-1-yl]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[4-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-1-yl]methyl]phenyl]acetamide is CC(=O)Nc1ccc(CN2CCC(c3ncc(C(=O)N4CCOCC4)c(C)n3)CC2)cc1.
What is the InChIKey of N-[4-[[4-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-1-yl]methyl]phenyl]acetamide?
The InChIKey is HRTAMHBLXNOHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O3/c1-17-22(24(31)29-11-13-32-14-12-29)15-25-23(26-17)20-7-9-28(10-8-20)16-19-3-5-21(6-4-19)27-18(2)30/h3-6,15,20H,7-14,16H2,1-2H3,(H,27,30).
What are the key properties of N-[4-[[4-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-1-yl]methyl]phenyl]acetamide?
N-[4-[[4-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-1-yl]methyl]phenyl]acetamide has a molecular weight of 437.54 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-1-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 92640356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).