ethyl 1-[[1-(furan-3-carbonyl)piperidine-4-carbonyl]amino]cyclopentane-1-carboxylate

C19H26N2O5 — CID 86835731

IUPACethyl 1-[[1-(furan-3-carbonyl)piperidine-4-carbonyl]amino]cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(NC(=O)C2CCN(C(=O)c3ccoc3)CC2)CCCC1
InChIInChI=1S/C19H26N2O5/c1-2-26-18(24)19(8-3-4-9-19)20-16(22)14-5-10-21(11-6-14)17(23)15-7-12-25-13-15/h7,12-14H,2-6,8-11H2,1H3,(H,20,22)
InChIKeySQBIBVVLFMLDFB-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.12
Rot. Bonds5

About ethyl 1-[[1-(furan-3-carbonyl)piperidine-4-carbonyl]amino]cyclopentane-1-carboxylate

ethyl 1-[[1-(furan-3-carbonyl)piperidine-4-carbonyl]amino]cyclopentane-1-carboxylate (PubChem CID 86835731) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is ethyl 1-[[1-(furan-3-carbonyl)piperidine-4-carbonyl]amino]cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-[[1-(furan-3-carbonyl)piperidine-4-carbonyl]amino]cyclopentane-1-carboxylate
PubChem CID86835731
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC Nameethyl 1-[[1-(furan-3-carbonyl)piperidine-4-carbonyl]amino]cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(NC(=O)C2CCN(C(=O)c3ccoc3)CC2)CCCC1
InChIInChI=1S/C19H26N2O5/c1-2-26-18(24)19(8-3-4-9-19)20-16(22)14-5-10-21(11-6-14)17(23)15-7-12-25-13-15/h7,12-14H,2-6,8-11H2,1H3,(H,20,22)
InChIKeySQBIBVVLFMLDFB-UHFFFAOYSA-N
XLogP2.12
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(furan-3-carbonyl)-N-[(1-hydroxycyclohexyl)methyl]piperidine-4-carboxamide
CID 111445987
N-[(2S)-butan-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 39992604
N-[(2R)-butan-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 39992601
ethyl 5-[[1-(furan-3-carbonyl)piperidine-4-carbonyl]amino]-3-methylthiophene-2-carboxylate
CID 134060480
ethyl 3-[[1-(furan-3-carbonyl)piperidin-4-yl]carbamoyl]piperidine-1-carboxylate
CID 43057335
N-[4-(diethylamino)phenyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 39126265
[4-[(3-ethoxyspiro[3.4]octan-1-yl)amino]piperidin-1-yl]-(furan-3-yl)methanone
CID 75383332
1-(furan-3-carbonyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 134048432
N-[2-(3,5-dimethylphenoxy)ethyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 51125128
N-(2,5-dimethylpyrazol-3-yl)-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 136576685
N-(2,3-dimethylcyclohexyl)-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 134060586
N-(1-adamantylmethyl)-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 47022910

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[1-(furan-3-carbonyl)piperidine-4-carbonyl]amino]cyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-[[1-(furan-3-carbonyl)piperidine-4-carbonyl]amino]cyclopentane-1-carboxylate (CID 86835731) is ethyl 1-[[1-(furan-3-carbonyl)piperidine-4-carbonyl]amino]cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-[[1-(furan-3-carbonyl)piperidine-4-carbonyl]amino]cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-[[1-(furan-3-carbonyl)piperidine-4-carbonyl]amino]cyclopentane-1-carboxylate is CCOC(=O)C1(NC(=O)C2CCN(C(=O)c3ccoc3)CC2)CCCC1.
What is the InChIKey of ethyl 1-[[1-(furan-3-carbonyl)piperidine-4-carbonyl]amino]cyclopentane-1-carboxylate?
The InChIKey is SQBIBVVLFMLDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5/c1-2-26-18(24)19(8-3-4-9-19)20-16(22)14-5-10-21(11-6-14)17(23)15-7-12-25-13-15/h7,12-14H,2-6,8-11H2,1H3,(H,20,22).
What are the key properties of ethyl 1-[[1-(furan-3-carbonyl)piperidine-4-carbonyl]amino]cyclopentane-1-carboxylate?
ethyl 1-[[1-(furan-3-carbonyl)piperidine-4-carbonyl]amino]cyclopentane-1-carboxylate has a molecular weight of 362.43 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[1-(furan-3-carbonyl)piperidine-4-carbonyl]amino]cyclopentane-1-carboxylate is sourced from PubChem (CID 86835731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).