ethyl (3S)-1-[5-[(4-methoxyphenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carbonyl]piperidine-3-carboxylate

C25H32N2O5 — CID 95112159

IUPACethyl (3S)-1-[5-[(4-methoxyphenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carbonyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CCCN(C(=O)c2c(C)oc3c2CN(Cc2ccc(OC)cc2)CC3)C1
InChIInChI=1S/C25H32N2O5/c1-4-31-25(29)19-6-5-12-27(15-19)24(28)23-17(2)32-22-11-13-26(16-21(22)23)14-18-7-9-20(30-3)10-8-18/h7-10,19H,4-6,11-16H2,1-3H3/t19-/m0/s1
InChIKeyXVCPZVFCPGKDOH-IBGZPJMESA-N
MW440.54 g/mol
LogP3.57
Rot. Bonds6

About ethyl (3S)-1-[5-[(4-methoxyphenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carbonyl]piperidine-3-carboxylate

ethyl (3S)-1-[5-[(4-methoxyphenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carbonyl]piperidine-3-carboxylate (PubChem CID 95112159) has the molecular formula C25H32N2O5 and a molecular weight of 440.54 g/mol. Its IUPAC name is ethyl (3S)-1-[5-[(4-methoxyphenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carbonyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3S)-1-[5-[(4-methoxyphenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carbonyl]piperidine-3-carboxylate
PubChem CID95112159
Molecular FormulaC25H32N2O5
Molecular Weight440.54 g/mol
Exact Mass440.23
IUPAC Nameethyl (3S)-1-[5-[(4-methoxyphenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carbonyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CCCN(C(=O)c2c(C)oc3c2CN(Cc2ccc(OC)cc2)CC3)C1
InChIInChI=1S/C25H32N2O5/c1-4-31-25(29)19-6-5-12-27(15-19)24(28)23-17(2)32-22-11-13-26(16-21(22)23)14-18-7-9-20(30-3)10-8-18/h7-10,19H,4-6,11-16H2,1-3H3/t19-/m0/s1
InChIKeyXVCPZVFCPGKDOH-IBGZPJMESA-N
XLogP3.57
TPSA72.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl (3S)-1-[5-[(4-methoxyphenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carbonyl]piperidine-3-carboxylate with MolForge

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Related Compounds

ethyl (3R)-1-[2-methyl-5-[(4-methylphenyl)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carbonyl]piperidine-3-carboxylate
CID 95112154
ethyl (3R)-1-[5-[(3-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carbonyl]piperidine-3-carboxylate
CID 95112175
ethyl (3S)-1-[5-[(3-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carbonyl]piperidine-3-carboxylate
CID 95112176
ethyl 1-[4-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-3,5-dioxo-1,2,4-triazine-6-carbonyl]piperidine-3-carboxylate
CID 46005201
ethyl (3R)-1-[4-(hydroxymethyl)benzoyl]piperidine-3-carboxylate
CID 115538788
ethyl (3S)-1-(2,6-dimethylbenzoyl)piperidine-3-carboxylate
CID 103783546
ethyl 1-[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]piperidine-3-carboxylate
CID 55377333
ethyl (3R)-1-(4-acetyloxybenzoyl)piperidine-3-carboxylate
CID 670738
ethyl (3S)-1-(naphthalene-2-carbonyl)piperidine-3-carboxylate
CID 26710230
ethyl 1-[N-ethyl-N'-[(4-methoxyphenyl)methyl]carbamimidoyl]piperidine-3-carboxylate
CID 110994031
4-(3-ethoxycarbonylpiperidine-1-carbonyl)-3-(4-methoxyphenyl)oxadiazol-3-ium-5-olate
CID 53290564
ethyl (3R)-1-(3-chloro-6-methoxy-1-benzothiophene-2-carbonyl)piperidine-3-carboxylate
CID 2395103

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-1-[5-[(4-methoxyphenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carbonyl]piperidine-3-carboxylate?
The IUPAC name of ethyl (3S)-1-[5-[(4-methoxyphenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carbonyl]piperidine-3-carboxylate (CID 95112159) is ethyl (3S)-1-[5-[(4-methoxyphenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carbonyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3S)-1-[5-[(4-methoxyphenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carbonyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl (3S)-1-[5-[(4-methoxyphenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carbonyl]piperidine-3-carboxylate is CCOC(=O)[C@H]1CCCN(C(=O)c2c(C)oc3c2CN(Cc2ccc(OC)cc2)CC3)C1.
What is the InChIKey of ethyl (3S)-1-[5-[(4-methoxyphenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carbonyl]piperidine-3-carboxylate?
The InChIKey is XVCPZVFCPGKDOH-IBGZPJMESA-N. The full InChI is InChI=1S/C25H32N2O5/c1-4-31-25(29)19-6-5-12-27(15-19)24(28)23-17(2)32-22-11-13-26(16-21(22)23)14-18-7-9-20(30-3)10-8-18/h7-10,19H,4-6,11-16H2,1-3H3/t19-/m0/s1.
What are the key properties of ethyl (3S)-1-[5-[(4-methoxyphenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carbonyl]piperidine-3-carboxylate?
ethyl (3S)-1-[5-[(4-methoxyphenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carbonyl]piperidine-3-carboxylate has a molecular weight of 440.54 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-1-[5-[(4-methoxyphenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carbonyl]piperidine-3-carboxylate is sourced from PubChem (CID 95112159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).