ethyl N-[1-[2-[[2-(1-adamantyl)acetyl]amino]acetyl]piperidin-3-yl]carbamate

C22H35N3O4 — CID 55844696

IUPACethyl N-[1-[2-[[2-(1-adamantyl)acetyl]amino]acetyl]piperidin-3-yl]carbamate
SMILESCCOC(=O)NC1CCCN(C(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)C1
InChIInChI=1S/C22H35N3O4/c1-2-29-21(28)24-18-4-3-5-25(14-18)20(27)13-23-19(26)12-22-9-15-6-16(10-22)8-17(7-15)11-22/h15-18H,2-14H2,1H3,(H,23,26)(H,24,28)
InChIKeyUCEDGEOSUJXNJN-UHFFFAOYSA-N
MW405.54 g/mol
LogP2.45
Rot. Bonds6

About ethyl N-[1-[2-[[2-(1-adamantyl)acetyl]amino]acetyl]piperidin-3-yl]carbamate

ethyl N-[1-[2-[[2-(1-adamantyl)acetyl]amino]acetyl]piperidin-3-yl]carbamate (PubChem CID 55844696) has the molecular formula C22H35N3O4 and a molecular weight of 405.54 g/mol. Its IUPAC name is ethyl N-[1-[2-[[2-(1-adamantyl)acetyl]amino]acetyl]piperidin-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-[2-[[2-(1-adamantyl)acetyl]amino]acetyl]piperidin-3-yl]carbamate
PubChem CID55844696
Molecular FormulaC22H35N3O4
Molecular Weight405.54 g/mol
Exact Mass405.26
IUPAC Nameethyl N-[1-[2-[[2-(1-adamantyl)acetyl]amino]acetyl]piperidin-3-yl]carbamate
SMILESCCOC(=O)NC1CCCN(C(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)C1
InChIInChI=1S/C22H35N3O4/c1-2-29-21(28)24-18-4-3-5-25(14-18)20(27)13-23-19(26)12-22-9-15-6-16(10-22)8-17(7-15)11-22/h15-18H,2-14H2,1H3,(H,23,26)(H,24,28)
InChIKeyUCEDGEOSUJXNJN-UHFFFAOYSA-N
XLogP2.45
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[1-[2-(cyclopropylamino)acetyl]piperidin-3-yl]carbamate
CID 54873299
(3S)-1-[2-[[2-(1-adamantyl)acetyl]amino]acetyl]piperidine-3-carboxylic acid
CID 99718207
ethyl N-[1-(3-aminopropanoyl)piperidin-3-yl]carbamate
CID 54873265
2-(1-adamantyl)-N-[2-[3-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 119485530
ethyl N-[1-(5-aminohexanoyl)piperidin-3-yl]carbamate
CID 82851351
ethyl N-[1-[2-(2-aminoethoxy)acetyl]piperidin-3-yl]carbamate
CID 79473770
ethyl N-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-3-yl]carbamate
CID 115949885
ethyl N-[1-(2-bromopropanoyl)piperidin-3-yl]carbamate
CID 107904566
ethyl N-[1-(2-chloropropanoyl)piperidin-3-yl]carbamate
CID 54876025
(2-oxo-2-pyrrolidin-1-ylethyl) 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7755543
2-(1-adamantyl)-N-[2-[4-(4-methylpentanoyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 55976680
ethyl N-[1-(3-amino-2,2,3-trimethylbutanoyl)piperidin-3-yl]carbamate
CID 65269908

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-[2-[[2-(1-adamantyl)acetyl]amino]acetyl]piperidin-3-yl]carbamate?
The IUPAC name of ethyl N-[1-[2-[[2-(1-adamantyl)acetyl]amino]acetyl]piperidin-3-yl]carbamate (CID 55844696) is ethyl N-[1-[2-[[2-(1-adamantyl)acetyl]amino]acetyl]piperidin-3-yl]carbamate.
What is the SMILES notation for ethyl N-[1-[2-[[2-(1-adamantyl)acetyl]amino]acetyl]piperidin-3-yl]carbamate?
The canonical SMILES for ethyl N-[1-[2-[[2-(1-adamantyl)acetyl]amino]acetyl]piperidin-3-yl]carbamate is CCOC(=O)NC1CCCN(C(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)C1.
What is the InChIKey of ethyl N-[1-[2-[[2-(1-adamantyl)acetyl]amino]acetyl]piperidin-3-yl]carbamate?
The InChIKey is UCEDGEOSUJXNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O4/c1-2-29-21(28)24-18-4-3-5-25(14-18)20(27)13-23-19(26)12-22-9-15-6-16(10-22)8-17(7-15)11-22/h15-18H,2-14H2,1H3,(H,23,26)(H,24,28).
What are the key properties of ethyl N-[1-[2-[[2-(1-adamantyl)acetyl]amino]acetyl]piperidin-3-yl]carbamate?
ethyl N-[1-[2-[[2-(1-adamantyl)acetyl]amino]acetyl]piperidin-3-yl]carbamate has a molecular weight of 405.54 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-[2-[[2-(1-adamantyl)acetyl]amino]acetyl]piperidin-3-yl]carbamate is sourced from PubChem (CID 55844696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).