methyl 2-[3-[[(2R)-1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]phenyl]acetate

C20H22N2O5 — CID 99589299

IUPACmethyl 2-[3-[[(2R)-1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]phenyl]acetate
SMILESCOC(=O)Cc1cccc(NC(=O)[C@H]2CCCCN2C(=O)c2ccco2)c1
InChIInChI=1S/C20H22N2O5/c1-26-18(23)13-14-6-4-7-15(12-14)21-19(24)16-8-2-3-10-22(16)20(25)17-9-5-11-27-17/h4-7,9,11-12,16H,2-3,8,10,13H2,1H3,(H,21,24)/t16-/m1/s1
InChIKeyILTQBCWDMPSWOP-MRXNPFEDSA-N
MW370.41 g/mol
LogP2.63
Rot. Bonds5

About methyl 2-[3-[[(2R)-1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]phenyl]acetate

methyl 2-[3-[[(2R)-1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]phenyl]acetate (PubChem CID 99589299) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is methyl 2-[3-[[(2R)-1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[[(2R)-1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]phenyl]acetate
PubChem CID99589299
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Namemethyl 2-[3-[[(2R)-1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]phenyl]acetate
SMILESCOC(=O)Cc1cccc(NC(=O)[C@H]2CCCCN2C(=O)c2ccco2)c1
InChIInChI=1S/C20H22N2O5/c1-26-18(23)13-14-6-4-7-15(12-14)21-19(24)16-8-2-3-10-22(16)20(25)17-9-5-11-27-17/h4-7,9,11-12,16H,2-3,8,10,13H2,1H3,(H,21,24)/t16-/m1/s1
InChIKeyILTQBCWDMPSWOP-MRXNPFEDSA-N
XLogP2.63
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(3-acetamidophenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 51980891
ethyl 3-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]benzoate
CID 60551969
2-[3-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]phenoxy]acetic acid
CID 119224814
1-(furan-2-carbonyl)-N-(3-iodophenyl)pyrrolidine-2-carboxamide
CID 71902260
(2S)-1-(furan-2-carbonyl)-N-(2-methyl-4-pyridinyl)piperidine-2-carboxamide
CID 96526953
(2R)-N-(3-carbamoylphenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 32821866
N-(3-carbamoylphenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 24659016
1-(furan-2-carbonyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 50875716
1-(furan-2-carbonyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]piperidine-2-carboxamide
CID 75909705
1-(furan-2-carbonyl)-N-[4-(2-methoxyethoxy)phenyl]pyrrolidine-2-carboxamide
CID 55675227
(2S)-N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 55940765
(2S)-N-(2,3-dihydro-1-benzofuran-5-yl)-1-(furan-2-carbonyl)piperidine-2-carboxamide
CID 94809063

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[[(2R)-1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]phenyl]acetate?
The IUPAC name of methyl 2-[3-[[(2R)-1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]phenyl]acetate (CID 99589299) is methyl 2-[3-[[(2R)-1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]phenyl]acetate.
What is the SMILES notation for methyl 2-[3-[[(2R)-1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]phenyl]acetate?
The canonical SMILES for methyl 2-[3-[[(2R)-1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]phenyl]acetate is COC(=O)Cc1cccc(NC(=O)[C@H]2CCCCN2C(=O)c2ccco2)c1.
What is the InChIKey of methyl 2-[3-[[(2R)-1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]phenyl]acetate?
The InChIKey is ILTQBCWDMPSWOP-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-26-18(23)13-14-6-4-7-15(12-14)21-19(24)16-8-2-3-10-22(16)20(25)17-9-5-11-27-17/h4-7,9,11-12,16H,2-3,8,10,13H2,1H3,(H,21,24)/t16-/m1/s1.
What are the key properties of methyl 2-[3-[[(2R)-1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]phenyl]acetate?
methyl 2-[3-[[(2R)-1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]phenyl]acetate has a molecular weight of 370.41 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[[(2R)-1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]phenyl]acetate is sourced from PubChem (CID 99589299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).