[1-(furan-2-carbonyl)piperidin-3-yl]-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone

C24H31N3O5 — CID 43043373

IUPAC[1-(furan-2-carbonyl)piperidin-3-yl]-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
SMILESCOc1ccc(OCCN2CCN(C(=O)C3CCCN(C(=O)c4ccco4)C3)CC2)cc1
InChIInChI=1S/C24H31N3O5/c1-30-20-6-8-21(9-7-20)31-17-15-25-11-13-26(14-12-25)23(28)19-4-2-10-27(18-19)24(29)22-5-3-16-32-22/h3,5-9,16,19H,2,4,10-15,17-18H2,1H3
InChIKeyFEQGVZDMQOSMNI-UHFFFAOYSA-N
MW441.53 g/mol
LogP2.36
Rot. Bonds7

About [1-(furan-2-carbonyl)piperidin-3-yl]-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone

[1-(furan-2-carbonyl)piperidin-3-yl]-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone (PubChem CID 43043373) has the molecular formula C24H31N3O5 and a molecular weight of 441.53 g/mol. Its IUPAC name is [1-(furan-2-carbonyl)piperidin-3-yl]-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(furan-2-carbonyl)piperidin-3-yl]-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
PubChem CID43043373
Molecular FormulaC24H31N3O5
Molecular Weight441.53 g/mol
Exact Mass441.23
IUPAC Name[1-(furan-2-carbonyl)piperidin-3-yl]-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
SMILESCOc1ccc(OCCN2CCN(C(=O)C3CCCN(C(=O)c4ccco4)C3)CC2)cc1
InChIInChI=1S/C24H31N3O5/c1-30-20-6-8-21(9-7-20)31-17-15-25-11-13-26(14-12-25)23(28)19-4-2-10-27(18-19)24(29)22-5-3-16-32-22/h3,5-9,16,19H,2,4,10-15,17-18H2,1H3
InChIKeyFEQGVZDMQOSMNI-UHFFFAOYSA-N
XLogP2.36
TPSA75.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [1-(furan-2-carbonyl)piperidin-3-yl]-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 51930904
[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 78789988
[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-3-yl)methanone
CID 42954798
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[1-(furan-2-carbonyl)piperidin-3-yl]methanone
CID 43043371
furan-2-yl-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 56810704
furan-2-yl-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 113073228
furan-2-yl-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 648203
furan-2-yl-[3-(phenoxymethyl)piperidin-1-yl]methanone
CID 110410357
ethyl 4-[[4-[[(3R)-1-(furan-2-carbonyl)piperidin-3-yl]methoxy]phenyl]methyl]piperazine-1-carboxylate
CID 26321044
ethyl 4-[[4-[[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]methoxy]phenyl]methyl]piperazine-1-carboxylate
CID 26321048
4-(furan-2-carbonyl)-N-[3-(4-methoxyphenoxy)propyl]-N'-methylpiperazine-1-carboximidamide
CID 111167107
cyclopropyl-[4-(2-phenoxyethyl)-1,4-diazepan-1-yl]methanone
CID 165435335

Frequently Asked Questions

What is the IUPAC name of [1-(furan-2-carbonyl)piperidin-3-yl]-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone?
The IUPAC name of [1-(furan-2-carbonyl)piperidin-3-yl]-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone (CID 43043373) is [1-(furan-2-carbonyl)piperidin-3-yl]-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for [1-(furan-2-carbonyl)piperidin-3-yl]-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone?
The canonical SMILES for [1-(furan-2-carbonyl)piperidin-3-yl]-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone is COc1ccc(OCCN2CCN(C(=O)C3CCCN(C(=O)c4ccco4)C3)CC2)cc1.
What is the InChIKey of [1-(furan-2-carbonyl)piperidin-3-yl]-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone?
The InChIKey is FEQGVZDMQOSMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O5/c1-30-20-6-8-21(9-7-20)31-17-15-25-11-13-26(14-12-25)23(28)19-4-2-10-27(18-19)24(29)22-5-3-16-32-22/h3,5-9,16,19H,2,4,10-15,17-18H2,1H3.
What are the key properties of [1-(furan-2-carbonyl)piperidin-3-yl]-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone?
[1-(furan-2-carbonyl)piperidin-3-yl]-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone has a molecular weight of 441.53 g/mol, XLogP of 2.36, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(furan-2-carbonyl)piperidin-3-yl]-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 43043373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).