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

C13H23N3O3 — CID 54873299

IUPACethyl N-[1-[2-(cyclopropylamino)acetyl]piperidin-3-yl]carbamate
SMILESCCOC(=O)NC1CCCN(C(=O)CNC2CC2)C1
InChIInChI=1S/C13H23N3O3/c1-2-19-13(18)15-11-4-3-7-16(9-11)12(17)8-14-10-5-6-10/h10-11,14H,2-9H2,1H3,(H,15,18)
InChIKeyKUOJXQOFKMRLAX-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.48
Rot. Bonds5

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

ethyl N-[1-[2-(cyclopropylamino)acetyl]piperidin-3-yl]carbamate (PubChem CID 54873299) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is ethyl N-[1-[2-(cyclopropylamino)acetyl]piperidin-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-[2-(cyclopropylamino)acetyl]piperidin-3-yl]carbamate
PubChem CID54873299
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Nameethyl N-[1-[2-(cyclopropylamino)acetyl]piperidin-3-yl]carbamate
SMILESCCOC(=O)NC1CCCN(C(=O)CNC2CC2)C1
InChIInChI=1S/C13H23N3O3/c1-2-19-13(18)15-11-4-3-7-16(9-11)12(17)8-14-10-5-6-10/h10-11,14H,2-9H2,1H3,(H,15,18)
InChIKeyKUOJXQOFKMRLAX-UHFFFAOYSA-N
XLogP0.48
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[1-(3-aminopropanoyl)piperidin-3-yl]carbamate
CID 54873265
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
ethyl N-[1-(2-piperazin-1-ylacetyl)piperidin-3-yl]carbamate
CID 60963639
ethyl N-[1-(2-amino-4-methylpentanoyl)piperidin-3-yl]carbamate
CID 60962778
ethyl N-[1-[2-[[2-(1-adamantyl)acetyl]amino]acetyl]piperidin-3-yl]carbamate
CID 55844696
2-(cyclopropylamino)-1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 93300981
ethyl N-[1-(3-amino-2,2,3-trimethylbutanoyl)piperidin-3-yl]carbamate
CID 65269908
ethyl N-[(3S)-1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]carbamate
CID 94187844

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-[2-(cyclopropylamino)acetyl]piperidin-3-yl]carbamate?
The IUPAC name of ethyl N-[1-[2-(cyclopropylamino)acetyl]piperidin-3-yl]carbamate (CID 54873299) is ethyl N-[1-[2-(cyclopropylamino)acetyl]piperidin-3-yl]carbamate.
What is the SMILES notation for ethyl N-[1-[2-(cyclopropylamino)acetyl]piperidin-3-yl]carbamate?
The canonical SMILES for ethyl N-[1-[2-(cyclopropylamino)acetyl]piperidin-3-yl]carbamate is CCOC(=O)NC1CCCN(C(=O)CNC2CC2)C1.
What is the InChIKey of ethyl N-[1-[2-(cyclopropylamino)acetyl]piperidin-3-yl]carbamate?
The InChIKey is KUOJXQOFKMRLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-2-19-13(18)15-11-4-3-7-16(9-11)12(17)8-14-10-5-6-10/h10-11,14H,2-9H2,1H3,(H,15,18).
What are the key properties of ethyl N-[1-[2-(cyclopropylamino)acetyl]piperidin-3-yl]carbamate?
ethyl N-[1-[2-(cyclopropylamino)acetyl]piperidin-3-yl]carbamate has a molecular weight of 269.34 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-[2-(cyclopropylamino)acetyl]piperidin-3-yl]carbamate is sourced from PubChem (CID 54873299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).