N-cyclohexyl-2-[4-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]acetamide

C27H36N4O4 — CID 138996096

IUPACN-cyclohexyl-2-[4-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]acetamide
SMILESCCOc1cc(C(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)ccc1OCc1cccnc1
InChIInChI=1S/C27H36N4O4/c1-2-34-25-17-22(10-11-24(25)35-20-21-7-6-12-28-18-21)27(33)31-15-13-30(14-16-31)19-26(32)29-23-8-4-3-5-9-23/h6-7,10-12,17-18,23H,2-5,8-9,13-16,19-20H2,1H3,(H,29,32)
InChIKeyVTEMKEZWXRALEI-UHFFFAOYSA-N
MW480.61 g/mol
LogP3.27
Rot. Bonds9

About N-cyclohexyl-2-[4-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]acetamide

N-cyclohexyl-2-[4-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]acetamide (PubChem CID 138996096) has the molecular formula C27H36N4O4 and a molecular weight of 480.61 g/mol. Its IUPAC name is N-cyclohexyl-2-[4-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[4-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]acetamide
PubChem CID138996096
Molecular FormulaC27H36N4O4
Molecular Weight480.61 g/mol
Exact Mass480.27
IUPAC NameN-cyclohexyl-2-[4-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]acetamide
SMILESCCOc1cc(C(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)ccc1OCc1cccnc1
InChIInChI=1S/C27H36N4O4/c1-2-34-25-17-22(10-11-24(25)35-20-21-7-6-12-28-18-21)27(33)31-15-13-30(14-16-31)19-26(32)29-23-8-4-3-5-9-23/h6-7,10-12,17-18,23H,2-5,8-9,13-16,19-20H2,1H3,(H,29,32)
InChIKeyVTEMKEZWXRALEI-UHFFFAOYSA-N
XLogP3.27
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.61
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-2-[4-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]acetamide
CID 30838266
2-[4-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 55683067
(4-aminopiperidin-1-yl)-[3-ethoxy-4-(pyridin-3-ylmethoxy)phenyl]methanone;dihydrochloride
CID 119374059
tert-butyl 4-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]piperazine-1-carboxylate
CID 46588457
N-(1-acetylpiperidin-4-yl)-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
CID 30837796
[(2S)-2-(aminomethyl)piperidin-1-yl]-[3-ethoxy-4-(pyridin-3-ylmethoxy)phenyl]methanone
CID 124573443
4-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 55599513
[3-ethoxy-4-(pyridin-3-ylmethoxy)phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 46671432
[3-ethoxy-4-(pyridin-3-ylmethoxy)phenyl]-[(2R)-2-phenylpyrrolidin-1-yl]methanone
CID 39688623
[3-(aminomethyl)pyrrolidin-1-yl]-[3-ethoxy-4-(pyridin-3-ylmethoxy)phenyl]methanone;dihydrochloride
CID 119484480
(4-amino-3,3-dimethylpiperidin-1-yl)-[3-ethoxy-4-(pyridin-3-ylmethoxy)phenyl]methanone;dihydrochloride
CID 120819680
(2S)-4-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]morpholine-2-carboxylic acid
CID 125120497

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[4-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]acetamide?
The IUPAC name of N-cyclohexyl-2-[4-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]acetamide (CID 138996096) is N-cyclohexyl-2-[4-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[4-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[4-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]acetamide is CCOc1cc(C(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)ccc1OCc1cccnc1.
What is the InChIKey of N-cyclohexyl-2-[4-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]acetamide?
The InChIKey is VTEMKEZWXRALEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O4/c1-2-34-25-17-22(10-11-24(25)35-20-21-7-6-12-28-18-21)27(33)31-15-13-30(14-16-31)19-26(32)29-23-8-4-3-5-9-23/h6-7,10-12,17-18,23H,2-5,8-9,13-16,19-20H2,1H3,(H,29,32).
What are the key properties of N-cyclohexyl-2-[4-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]acetamide?
N-cyclohexyl-2-[4-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]acetamide has a molecular weight of 480.61 g/mol, XLogP of 3.27, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[4-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 138996096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).