ethyl N-[1-(3-aminopropanoyl)piperidin-3-yl]carbamate

C11H21N3O3 — CID 54873265

IUPACethyl N-[1-(3-aminopropanoyl)piperidin-3-yl]carbamate
SMILESCCOC(=O)NC1CCCN(C(=O)CCN)C1
InChIInChI=1S/C11H21N3O3/c1-2-17-11(16)13-9-4-3-7-14(8-9)10(15)5-6-12/h9H,2-8,12H2,1H3,(H,13,16)
InChIKeyBNPNQJPECGAWBU-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.07
Rot. Bonds4

About ethyl N-[1-(3-aminopropanoyl)piperidin-3-yl]carbamate

ethyl N-[1-(3-aminopropanoyl)piperidin-3-yl]carbamate (PubChem CID 54873265) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is ethyl N-[1-(3-aminopropanoyl)piperidin-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-(3-aminopropanoyl)piperidin-3-yl]carbamate
PubChem CID54873265
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Nameethyl N-[1-(3-aminopropanoyl)piperidin-3-yl]carbamate
SMILESCCOC(=O)NC1CCCN(C(=O)CCN)C1
InChIInChI=1S/C11H21N3O3/c1-2-17-11(16)13-9-4-3-7-14(8-9)10(15)5-6-12/h9H,2-8,12H2,1H3,(H,13,16)
InChIKeyBNPNQJPECGAWBU-UHFFFAOYSA-N
XLogP0.07
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[1-[2-(2-aminoethoxy)acetyl]piperidin-3-yl]carbamate
CID 79473770
ethyl N-[1-(5-aminohexanoyl)piperidin-3-yl]carbamate
CID 82851351
ethyl N-[1-[2-(cyclopropylamino)acetyl]piperidin-3-yl]carbamate
CID 54873299
ethyl N-[1-(2-piperazin-1-ylacetyl)piperidin-3-yl]carbamate
CID 60963639
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-(3-amino-2,2,3-trimethylbutanoyl)piperidin-3-yl]carbamate
CID 65269908
N-[1-(2-aminoacetyl)piperidin-3-yl]butanamide
CID 119310790
ethyl N-[(3S)-1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]carbamate
CID 94187844
ethyl 3-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-3-oxopropanoate
CID 174735969
ethyl N-[1-(2-amino-4-methylpentanoyl)piperidin-3-yl]carbamate
CID 60962778

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-(3-aminopropanoyl)piperidin-3-yl]carbamate?
The IUPAC name of ethyl N-[1-(3-aminopropanoyl)piperidin-3-yl]carbamate (CID 54873265) is ethyl N-[1-(3-aminopropanoyl)piperidin-3-yl]carbamate.
What is the SMILES notation for ethyl N-[1-(3-aminopropanoyl)piperidin-3-yl]carbamate?
The canonical SMILES for ethyl N-[1-(3-aminopropanoyl)piperidin-3-yl]carbamate is CCOC(=O)NC1CCCN(C(=O)CCN)C1.
What is the InChIKey of ethyl N-[1-(3-aminopropanoyl)piperidin-3-yl]carbamate?
The InChIKey is BNPNQJPECGAWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-2-17-11(16)13-9-4-3-7-14(8-9)10(15)5-6-12/h9H,2-8,12H2,1H3,(H,13,16).
What are the key properties of ethyl N-[1-(3-aminopropanoyl)piperidin-3-yl]carbamate?
ethyl N-[1-(3-aminopropanoyl)piperidin-3-yl]carbamate has a molecular weight of 243.31 g/mol, XLogP of 0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-(3-aminopropanoyl)piperidin-3-yl]carbamate is sourced from PubChem (CID 54873265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).