N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-6-methyl-4-piperidin-1-ylfuro[2,3-d]pyrimidine-5-carboxamide

C26H34N6O3 — CID 20925175

IUPACN-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-6-methyl-4-piperidin-1-ylfuro[2,3-d]pyrimidine-5-carboxamide
SMILESCOc1ccc(N2CCN(CCNC(=O)c3c(C)oc4ncnc(N5CCCCC5)c34)CC2)cc1
InChIInChI=1S/C26H34N6O3/c1-19-22(23-24(28-18-29-26(23)35-19)32-11-4-3-5-12-32)25(33)27-10-13-30-14-16-31(17-15-30)20-6-8-21(34-2)9-7-20/h6-9,18H,3-5,10-17H2,1-2H3,(H,27,33)
InChIKeyZGNGHCZOGDGSDQ-UHFFFAOYSA-N
MW478.60 g/mol
LogP3.08
Rot. Bonds7

About N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-6-methyl-4-piperidin-1-ylfuro[2,3-d]pyrimidine-5-carboxamide

N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-6-methyl-4-piperidin-1-ylfuro[2,3-d]pyrimidine-5-carboxamide (PubChem CID 20925175) has the molecular formula C26H34N6O3 and a molecular weight of 478.60 g/mol. Its IUPAC name is N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-6-methyl-4-piperidin-1-ylfuro[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-6-methyl-4-piperidin-1-ylfuro[2,3-d]pyrimidine-5-carboxamide
PubChem CID20925175
Molecular FormulaC26H34N6O3
Molecular Weight478.60 g/mol
Exact Mass478.27
IUPAC NameN-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-6-methyl-4-piperidin-1-ylfuro[2,3-d]pyrimidine-5-carboxamide
SMILESCOc1ccc(N2CCN(CCNC(=O)c3c(C)oc4ncnc(N5CCCCC5)c34)CC2)cc1
InChIInChI=1S/C26H34N6O3/c1-19-22(23-24(28-18-29-26(23)35-19)32-11-4-3-5-12-32)25(33)27-10-13-30-14-16-31(17-15-30)20-6-8-21(34-2)9-7-20/h6-9,18H,3-5,10-17H2,1-2H3,(H,27,33)
InChIKeyZGNGHCZOGDGSDQ-UHFFFAOYSA-N
XLogP3.08
TPSA86.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.60
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxyphenyl)-6-methyl-4-piperidin-1-ylfuro[2,3-d]pyrimidine-5-carboxamide
CID 20925190
2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-N-(2-piperidin-1-ylethyl)-1,3-oxazole-4-carboxamide
CID 42858740
N-(2-methoxyethyl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 3301135
ethyl 4-[(6-methyl-4-piperidin-1-ylfuro[2,3-d]pyrimidine-5-carbonyl)amino]benzoate
CID 20925199
azepan-1-yl-(6-methyl-4-piperidin-1-ylfuro[2,3-d]pyrimidin-5-yl)methanone
CID 20925129
6-methyl-4-morpholin-4-yl-N-[[(2S)-oxolan-2-yl]methyl]furo[2,3-d]pyrimidine-5-carboxamide
CID 92745643
6-methyl-4-morpholin-4-yl-N-(oxolan-2-ylmethyl)furo[2,3-d]pyrimidine-5-carboxamide
CID 45106699
1-(4-methoxyphenyl)-4-(2-piperidin-1-ylethyl)piperazine
CID 1439447
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-2-(4-phenylphenyl)acetamide
CID 42266407
4-cyano-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 42266430
5-(furan-2-yl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1,2-oxazole-3-carboxamide
CID 51055335
N-(2-methoxyphenyl)-6-methyl-4-morpholin-4-ylfuro[2,3-d]pyrimidine-5-carboxamide
CID 20925246

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-6-methyl-4-piperidin-1-ylfuro[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-6-methyl-4-piperidin-1-ylfuro[2,3-d]pyrimidine-5-carboxamide (CID 20925175) is N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-6-methyl-4-piperidin-1-ylfuro[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-6-methyl-4-piperidin-1-ylfuro[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-6-methyl-4-piperidin-1-ylfuro[2,3-d]pyrimidine-5-carboxamide is COc1ccc(N2CCN(CCNC(=O)c3c(C)oc4ncnc(N5CCCCC5)c34)CC2)cc1.
What is the InChIKey of N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-6-methyl-4-piperidin-1-ylfuro[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is ZGNGHCZOGDGSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O3/c1-19-22(23-24(28-18-29-26(23)35-19)32-11-4-3-5-12-32)25(33)27-10-13-30-14-16-31(17-15-30)20-6-8-21(34-2)9-7-20/h6-9,18H,3-5,10-17H2,1-2H3,(H,27,33).
What are the key properties of N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-6-methyl-4-piperidin-1-ylfuro[2,3-d]pyrimidine-5-carboxamide?
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-6-methyl-4-piperidin-1-ylfuro[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 478.60 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-6-methyl-4-piperidin-1-ylfuro[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 20925175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).