ethyl N-[1-[2-[(3,4,5-trimethoxybenzoyl)amino]acetyl]piperidin-4-yl]carbamate

C20H29N3O7 — CID 47076923

IUPACethyl N-[1-[2-[(3,4,5-trimethoxybenzoyl)amino]acetyl]piperidin-4-yl]carbamate
SMILESCCOC(=O)NC1CCN(C(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)CC1
InChIInChI=1S/C20H29N3O7/c1-5-30-20(26)22-14-6-8-23(9-7-14)17(24)12-21-19(25)13-10-15(27-2)18(29-4)16(11-13)28-3/h10-11,14H,5-9,12H2,1-4H3,(H,21,25)(H,22,26)
InChIKeyTZOPRRZEVOTFCT-UHFFFAOYSA-N
MW423.47 g/mol
LogP1.18
Rot. Bonds8

About ethyl N-[1-[2-[(3,4,5-trimethoxybenzoyl)amino]acetyl]piperidin-4-yl]carbamate

ethyl N-[1-[2-[(3,4,5-trimethoxybenzoyl)amino]acetyl]piperidin-4-yl]carbamate (PubChem CID 47076923) has the molecular formula C20H29N3O7 and a molecular weight of 423.47 g/mol. Its IUPAC name is ethyl N-[1-[2-[(3,4,5-trimethoxybenzoyl)amino]acetyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-[2-[(3,4,5-trimethoxybenzoyl)amino]acetyl]piperidin-4-yl]carbamate
PubChem CID47076923
Molecular FormulaC20H29N3O7
Molecular Weight423.47 g/mol
Exact Mass423.20
IUPAC Nameethyl N-[1-[2-[(3,4,5-trimethoxybenzoyl)amino]acetyl]piperidin-4-yl]carbamate
SMILESCCOC(=O)NC1CCN(C(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)CC1
InChIInChI=1S/C20H29N3O7/c1-5-30-20(26)22-14-6-8-23(9-7-14)17(24)12-21-19(25)13-10-15(27-2)18(29-4)16(11-13)28-3/h10-11,14H,5-9,12H2,1-4H3,(H,21,25)(H,22,26)
InChIKeyTZOPRRZEVOTFCT-UHFFFAOYSA-N
XLogP1.18
TPSA115.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl N-[1-(2-benzamidoacetyl)piperidin-4-yl]carbamate
CID 47932223
3,4,5-trimethoxy-N-(1-propanoylpiperidin-4-yl)benzamide
CID 108549301
N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 51161949
methyl N-[1-(2-benzamidoacetyl)piperidin-4-yl]carbamate
CID 110821590
3,4,5-trimethoxy-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108549305
butyl 4-[(3,4,5-trimethoxybenzoyl)amino]piperidine-1-carboxylate
CID 108559323
ethyl N-(1-butanoylpiperidin-4-yl)carbamate
CID 110819279
N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 112995523
3,4,5-trimethoxy-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide
CID 108549268
N-[1-[2-[[(2R)-2-[[formyl(hydroxy)amino]methyl]-4-methyloctanoyl]amino]acetyl]piperidin-4-yl]-3,4,5-trimethoxybenzamide
CID 143426513
3,4,5-trimethoxy-N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 46601420
3,4,5-trimethoxy-N-[2-oxo-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]ethyl]benzamide
CID 55837077

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-[2-[(3,4,5-trimethoxybenzoyl)amino]acetyl]piperidin-4-yl]carbamate?
The IUPAC name of ethyl N-[1-[2-[(3,4,5-trimethoxybenzoyl)amino]acetyl]piperidin-4-yl]carbamate (CID 47076923) is ethyl N-[1-[2-[(3,4,5-trimethoxybenzoyl)amino]acetyl]piperidin-4-yl]carbamate.
What is the SMILES notation for ethyl N-[1-[2-[(3,4,5-trimethoxybenzoyl)amino]acetyl]piperidin-4-yl]carbamate?
The canonical SMILES for ethyl N-[1-[2-[(3,4,5-trimethoxybenzoyl)amino]acetyl]piperidin-4-yl]carbamate is CCOC(=O)NC1CCN(C(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)CC1.
What is the InChIKey of ethyl N-[1-[2-[(3,4,5-trimethoxybenzoyl)amino]acetyl]piperidin-4-yl]carbamate?
The InChIKey is TZOPRRZEVOTFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O7/c1-5-30-20(26)22-14-6-8-23(9-7-14)17(24)12-21-19(25)13-10-15(27-2)18(29-4)16(11-13)28-3/h10-11,14H,5-9,12H2,1-4H3,(H,21,25)(H,22,26).
What are the key properties of ethyl N-[1-[2-[(3,4,5-trimethoxybenzoyl)amino]acetyl]piperidin-4-yl]carbamate?
ethyl N-[1-[2-[(3,4,5-trimethoxybenzoyl)amino]acetyl]piperidin-4-yl]carbamate has a molecular weight of 423.47 g/mol, XLogP of 1.18, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-[2-[(3,4,5-trimethoxybenzoyl)amino]acetyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 47076923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).