ethyl 1-[3-[[(3R)-1-(furan-3-carbonyl)piperidine-3-carbonyl]amino]phenyl]pyrazole-3-carboxylate

C23H24N4O5 — CID 39014081

IUPACethyl 1-[3-[[(3R)-1-(furan-3-carbonyl)piperidine-3-carbonyl]amino]phenyl]pyrazole-3-carboxylate
SMILESCCOC(=O)c1ccn(-c2cccc(NC(=O)[C@@H]3CCCN(C(=O)c4ccoc4)C3)c2)n1
InChIInChI=1S/C23H24N4O5/c1-2-32-23(30)20-8-11-27(25-20)19-7-3-6-18(13-19)24-21(28)16-5-4-10-26(14-16)22(29)17-9-12-31-15-17/h3,6-9,11-13,15-16H,2,4-5,10,14H2,1H3,(H,24,28)/t16-/m1/s1
InChIKeyAUDMGDDAVYADAW-MRXNPFEDSA-N
MW436.47 g/mol
LogP3.13
Rot. Bonds6

About ethyl 1-[3-[[(3R)-1-(furan-3-carbonyl)piperidine-3-carbonyl]amino]phenyl]pyrazole-3-carboxylate

ethyl 1-[3-[[(3R)-1-(furan-3-carbonyl)piperidine-3-carbonyl]amino]phenyl]pyrazole-3-carboxylate (PubChem CID 39014081) has the molecular formula C23H24N4O5 and a molecular weight of 436.47 g/mol. Its IUPAC name is ethyl 1-[3-[[(3R)-1-(furan-3-carbonyl)piperidine-3-carbonyl]amino]phenyl]pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-[[(3R)-1-(furan-3-carbonyl)piperidine-3-carbonyl]amino]phenyl]pyrazole-3-carboxylate
PubChem CID39014081
Molecular FormulaC23H24N4O5
Molecular Weight436.47 g/mol
Exact Mass436.17
IUPAC Nameethyl 1-[3-[[(3R)-1-(furan-3-carbonyl)piperidine-3-carbonyl]amino]phenyl]pyrazole-3-carboxylate
SMILESCCOC(=O)c1ccn(-c2cccc(NC(=O)[C@@H]3CCCN(C(=O)c4ccoc4)C3)c2)n1
InChIInChI=1S/C23H24N4O5/c1-2-32-23(30)20-8-11-27(25-20)19-7-3-6-18(13-19)24-21(28)16-5-4-10-26(14-16)22(29)17-9-12-31-15-17/h3,6-9,11-13,15-16H,2,4-5,10,14H2,1H3,(H,24,28)/t16-/m1/s1
InChIKeyAUDMGDDAVYADAW-MRXNPFEDSA-N
XLogP3.13
TPSA106.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 3-[[1-(furan-3-carbonyl)piperidine-3-carbonyl]amino]benzoate
CID 46604295
1-[3-[[1-(2-phenylacetyl)piperidine-3-carbonyl]amino]phenyl]pyrazole-3-carboxylic acid
CID 167986303
ethyl 1-[3-[[1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carbonyl]amino]phenyl]pyrazole-3-carboxylate
CID 47056657
methyl 4-[[1-(furan-3-carbonyl)piperidine-3-carbonyl]amino]benzoate
CID 46568061
N-(3,4-dichlorophenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 46568104
ethyl 1-[3-(cyclopropanecarbonylamino)benzoyl]piperidine-3-carboxylate
CID 47005233
1-(5-methyl-1,3-oxazole-4-carbonyl)-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide
CID 72868592
N-(3,5-dichlorophenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 42948171
ethyl 2-[[1-(furan-3-carbonyl)piperidine-3-carbonyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate
CID 43054937
(3S)-N-ethyl-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 30830527
ethyl 3-[[1-(2-fluorobenzoyl)piperidine-3-carbonyl]amino]benzoate
CID 50804505
(3S)-N-[3-(tetrazol-1-yl)phenyl]-1-(thiophene-3-carbonyl)piperidine-3-carboxamide
CID 42214946

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-[[(3R)-1-(furan-3-carbonyl)piperidine-3-carbonyl]amino]phenyl]pyrazole-3-carboxylate?
The IUPAC name of ethyl 1-[3-[[(3R)-1-(furan-3-carbonyl)piperidine-3-carbonyl]amino]phenyl]pyrazole-3-carboxylate (CID 39014081) is ethyl 1-[3-[[(3R)-1-(furan-3-carbonyl)piperidine-3-carbonyl]amino]phenyl]pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 1-[3-[[(3R)-1-(furan-3-carbonyl)piperidine-3-carbonyl]amino]phenyl]pyrazole-3-carboxylate?
The canonical SMILES for ethyl 1-[3-[[(3R)-1-(furan-3-carbonyl)piperidine-3-carbonyl]amino]phenyl]pyrazole-3-carboxylate is CCOC(=O)c1ccn(-c2cccc(NC(=O)[C@@H]3CCCN(C(=O)c4ccoc4)C3)c2)n1.
What is the InChIKey of ethyl 1-[3-[[(3R)-1-(furan-3-carbonyl)piperidine-3-carbonyl]amino]phenyl]pyrazole-3-carboxylate?
The InChIKey is AUDMGDDAVYADAW-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H24N4O5/c1-2-32-23(30)20-8-11-27(25-20)19-7-3-6-18(13-19)24-21(28)16-5-4-10-26(14-16)22(29)17-9-12-31-15-17/h3,6-9,11-13,15-16H,2,4-5,10,14H2,1H3,(H,24,28)/t16-/m1/s1.
What are the key properties of ethyl 1-[3-[[(3R)-1-(furan-3-carbonyl)piperidine-3-carbonyl]amino]phenyl]pyrazole-3-carboxylate?
ethyl 1-[3-[[(3R)-1-(furan-3-carbonyl)piperidine-3-carbonyl]amino]phenyl]pyrazole-3-carboxylate has a molecular weight of 436.47 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-[[(3R)-1-(furan-3-carbonyl)piperidine-3-carbonyl]amino]phenyl]pyrazole-3-carboxylate is sourced from PubChem (CID 39014081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).