[3-[[4-(diethylcarbamoyl)phenyl]-[1-(2-methoxyethyl)piperidin-4-ylidene]methyl]phenyl] N-ethylcarbamate

C29H39N3O4 — CID 91579927

IUPAC[3-[[4-(diethylcarbamoyl)phenyl]-[1-(2-methoxyethyl)piperidin-4-ylidene]methyl]phenyl] N-ethylcarbamate
SMILESCCNC(=O)Oc1cccc(C(=C2CCN(CCOC)CC2)c2ccc(C(=O)N(CC)CC)cc2)c1
InChIInChI=1S/C29H39N3O4/c1-5-30-29(34)36-26-10-8-9-25(21-26)27(23-15-17-31(18-16-23)19-20-35-4)22-11-13-24(14-12-22)28(33)32(6-2)7-3/h8-14,21H,5-7,15-20H2,1-4H3,(H,30,34)
InChIKeyGXBKTTDTSGTOIG-UHFFFAOYSA-N
MW493.65 g/mol
LogP4.82
Rot. Bonds10

About [3-[[4-(diethylcarbamoyl)phenyl]-[1-(2-methoxyethyl)piperidin-4-ylidene]methyl]phenyl] N-ethylcarbamate

[3-[[4-(diethylcarbamoyl)phenyl]-[1-(2-methoxyethyl)piperidin-4-ylidene]methyl]phenyl] N-ethylcarbamate (PubChem CID 91579927) has the molecular formula C29H39N3O4 and a molecular weight of 493.65 g/mol. Its IUPAC name is [3-[[4-(diethylcarbamoyl)phenyl]-[1-(2-methoxyethyl)piperidin-4-ylidene]methyl]phenyl] N-ethylcarbamate.

Molecular Properties

Compound Name[3-[[4-(diethylcarbamoyl)phenyl]-[1-(2-methoxyethyl)piperidin-4-ylidene]methyl]phenyl] N-ethylcarbamate
PubChem CID91579927
Molecular FormulaC29H39N3O4
Molecular Weight493.65 g/mol
Exact Mass493.29
IUPAC Name[3-[[4-(diethylcarbamoyl)phenyl]-[1-(2-methoxyethyl)piperidin-4-ylidene]methyl]phenyl] N-ethylcarbamate
SMILESCCNC(=O)Oc1cccc(C(=C2CCN(CCOC)CC2)c2ccc(C(=O)N(CC)CC)cc2)c1
InChIInChI=1S/C29H39N3O4/c1-5-30-29(34)36-26-10-8-9-25(21-26)27(23-15-17-31(18-16-23)19-20-35-4)22-11-13-24(14-12-22)28(33)32(6-2)7-3/h8-14,21H,5-7,15-20H2,1-4H3,(H,30,34)
InChIKeyGXBKTTDTSGTOIG-UHFFFAOYSA-N
XLogP4.82
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.65
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-[[4-(diethylcarbamoyl)phenyl]-[1-(2-methoxyethyl)piperidin-4-ylidene]methyl]phenyl] N-ethylcarbamate with MolForge

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Related Compounds

[3-[[4-(diethylcarbamoyl)phenyl]-(1-propylpiperidin-4-ylidene)methyl]phenyl]carbamic acid
CID 69478896
[3-[[4-(diethylcarbamoyl)phenyl]-(1-methoxypiperidin-4-ylidene)methyl]phenyl] hypoiodite
CID 142966945
[3-[[4-(diethylcarbamoyl)phenyl]-(4-ethylpiperazin-1-yl)methyl]phenyl] N-ethylcarbamate
CID 91007459
N,N-diethyl-4-[(3-hydroxyphenyl)-(1-methoxypiperidin-4-ylidene)methyl]benzamide
CID 142966943
[3-[[4-(diethylcarbamoyl)phenyl]-(1-methoxypiperidin-4-ylidene)methyl]phenyl] trifluoromethanesulfonate;methane
CID 142891829
4-[(1-benzylpiperidin-4-ylidene)-(3-hydroxyphenyl)methyl]-N,N-diethylbenzamide
CID 10226133
N,N-diethyl-4-[(3-fluorophenyl)-[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]methyl]benzamide
CID 57392492
3-[[4-(diethylcarbamoyl)phenyl]-[1-(furan-3-ylmethyl)piperidin-4-ylidene]methyl]benzamide
CID 10205502
N,N-diethyl-4-[[1-(3-methylbut-2-enyl)piperidin-4-ylidene]-phenylmethyl]benzamide
CID 10549849
4-[(3-aminophenyl)-[4-(diethylcarbamoyl)phenyl]methylidene]piperidine-1-carboxylic acid
CID 69475946
N-[4-(diethylcarbamoyl)phenyl]-3-methoxybenzamide
CID 7942192
3-[[4-(diethylcarbamoyl)phenyl]-[1-(furan-2-ylmethyl)piperidin-4-ylidene]methyl]benzamide
CID 10298976

Frequently Asked Questions

What is the IUPAC name of [3-[[4-(diethylcarbamoyl)phenyl]-[1-(2-methoxyethyl)piperidin-4-ylidene]methyl]phenyl] N-ethylcarbamate?
The IUPAC name of [3-[[4-(diethylcarbamoyl)phenyl]-[1-(2-methoxyethyl)piperidin-4-ylidene]methyl]phenyl] N-ethylcarbamate (CID 91579927) is [3-[[4-(diethylcarbamoyl)phenyl]-[1-(2-methoxyethyl)piperidin-4-ylidene]methyl]phenyl] N-ethylcarbamate.
What is the SMILES notation for [3-[[4-(diethylcarbamoyl)phenyl]-[1-(2-methoxyethyl)piperidin-4-ylidene]methyl]phenyl] N-ethylcarbamate?
The canonical SMILES for [3-[[4-(diethylcarbamoyl)phenyl]-[1-(2-methoxyethyl)piperidin-4-ylidene]methyl]phenyl] N-ethylcarbamate is CCNC(=O)Oc1cccc(C(=C2CCN(CCOC)CC2)c2ccc(C(=O)N(CC)CC)cc2)c1.
What is the InChIKey of [3-[[4-(diethylcarbamoyl)phenyl]-[1-(2-methoxyethyl)piperidin-4-ylidene]methyl]phenyl] N-ethylcarbamate?
The InChIKey is GXBKTTDTSGTOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39N3O4/c1-5-30-29(34)36-26-10-8-9-25(21-26)27(23-15-17-31(18-16-23)19-20-35-4)22-11-13-24(14-12-22)28(33)32(6-2)7-3/h8-14,21H,5-7,15-20H2,1-4H3,(H,30,34).
What are the key properties of [3-[[4-(diethylcarbamoyl)phenyl]-[1-(2-methoxyethyl)piperidin-4-ylidene]methyl]phenyl] N-ethylcarbamate?
[3-[[4-(diethylcarbamoyl)phenyl]-[1-(2-methoxyethyl)piperidin-4-ylidene]methyl]phenyl] N-ethylcarbamate has a molecular weight of 493.65 g/mol, XLogP of 4.82, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[4-(diethylcarbamoyl)phenyl]-[1-(2-methoxyethyl)piperidin-4-ylidene]methyl]phenyl] N-ethylcarbamate is sourced from PubChem (CID 91579927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).