azepan-1-yl-(6-methyl-4-piperidin-1-ylfuro[2,3-d]pyrimidin-5-yl)methanone

C19H26N4O2 — CID 20925129

IUPACazepan-1-yl-(6-methyl-4-piperidin-1-ylfuro[2,3-d]pyrimidin-5-yl)methanone
SMILESCc1oc2ncnc(N3CCCCC3)c2c1C(=O)N1CCCCCC1
InChIInChI=1S/C19H26N4O2/c1-14-15(19(24)23-11-5-2-3-6-12-23)16-17(20-13-21-18(16)25-14)22-9-7-4-8-10-22/h13H,2-12H2,1H3
InChIKeyRJPQKFZMMYXCHD-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.54
Rot. Bonds2

About azepan-1-yl-(6-methyl-4-piperidin-1-ylfuro[2,3-d]pyrimidin-5-yl)methanone

azepan-1-yl-(6-methyl-4-piperidin-1-ylfuro[2,3-d]pyrimidin-5-yl)methanone (PubChem CID 20925129) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is azepan-1-yl-(6-methyl-4-piperidin-1-ylfuro[2,3-d]pyrimidin-5-yl)methanone.

Molecular Properties

Compound Nameazepan-1-yl-(6-methyl-4-piperidin-1-ylfuro[2,3-d]pyrimidin-5-yl)methanone
PubChem CID20925129
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Nameazepan-1-yl-(6-methyl-4-piperidin-1-ylfuro[2,3-d]pyrimidin-5-yl)methanone
SMILESCc1oc2ncnc(N3CCCCC3)c2c1C(=O)N1CCCCCC1
InChIInChI=1S/C19H26N4O2/c1-14-15(19(24)23-11-5-2-3-6-12-23)16-17(20-13-21-18(16)25-14)22-9-7-4-8-10-22/h13H,2-12H2,1H3
InChIKeyRJPQKFZMMYXCHD-UHFFFAOYSA-N
XLogP3.54
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-6-methyl-4-piperidin-1-ylfuro[2,3-d]pyrimidine-5-carboxamide
CID 20925190
ethyl 4-[(6-methyl-4-piperidin-1-ylfuro[2,3-d]pyrimidine-5-carbonyl)amino]benzoate
CID 20925199
[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 164938832
(5-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-pyrrolidin-1-ylmethanone
CID 31043286
6-methyl-N-(2-methyl-3-nitrophenyl)-4-piperidin-1-ylfuro[2,3-d]pyrimidine-5-carboxamide
CID 46280377
ethyl 4-(4-carbamoylpiperidin-1-yl)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 20924859
N,N-diethyl-6-methyl-4-morpholin-4-ylfuro[2,3-d]pyrimidine-5-carboxamide
CID 20925298
3-(2-methoxyethyl)-6-methyl-5-(piperidine-1-carbonyl)furo[2,3-d]pyrimidin-4-one
CID 91950060
4-(4-benzylpiperazin-1-yl)-6-methylfuro[2,3-d]pyrimidine-5-carboxylic acid
CID 20873474
N-cyclohexyl-6-methyl-4-morpholin-4-yl-N-propan-2-ylfuro[2,3-d]pyrimidine-5-carboxamide
CID 20925367
(2,6-dimethyl-4-pyrrolidin-1-ylfuro[2,3-d]pyrimidin-5-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 20925422
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-6-methyl-4-piperidin-1-ylfuro[2,3-d]pyrimidine-5-carboxamide
CID 20925175

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-(6-methyl-4-piperidin-1-ylfuro[2,3-d]pyrimidin-5-yl)methanone?
The IUPAC name of azepan-1-yl-(6-methyl-4-piperidin-1-ylfuro[2,3-d]pyrimidin-5-yl)methanone (CID 20925129) is azepan-1-yl-(6-methyl-4-piperidin-1-ylfuro[2,3-d]pyrimidin-5-yl)methanone.
What is the SMILES notation for azepan-1-yl-(6-methyl-4-piperidin-1-ylfuro[2,3-d]pyrimidin-5-yl)methanone?
The canonical SMILES for azepan-1-yl-(6-methyl-4-piperidin-1-ylfuro[2,3-d]pyrimidin-5-yl)methanone is Cc1oc2ncnc(N3CCCCC3)c2c1C(=O)N1CCCCCC1.
What is the InChIKey of azepan-1-yl-(6-methyl-4-piperidin-1-ylfuro[2,3-d]pyrimidin-5-yl)methanone?
The InChIKey is RJPQKFZMMYXCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-14-15(19(24)23-11-5-2-3-6-12-23)16-17(20-13-21-18(16)25-14)22-9-7-4-8-10-22/h13H,2-12H2,1H3.
What are the key properties of azepan-1-yl-(6-methyl-4-piperidin-1-ylfuro[2,3-d]pyrimidin-5-yl)methanone?
azepan-1-yl-(6-methyl-4-piperidin-1-ylfuro[2,3-d]pyrimidin-5-yl)methanone has a molecular weight of 342.44 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-(6-methyl-4-piperidin-1-ylfuro[2,3-d]pyrimidin-5-yl)methanone is sourced from PubChem (CID 20925129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).