ethyl N-[1-(2-piperazin-1-ylacetyl)piperidin-3-yl]carbamate

C14H26N4O3 — CID 60963639

IUPACethyl N-[1-(2-piperazin-1-ylacetyl)piperidin-3-yl]carbamate
SMILESCCOC(=O)NC1CCCN(C(=O)CN2CCNCC2)C1
InChIInChI=1S/C14H26N4O3/c1-2-21-14(20)16-12-4-3-7-18(10-12)13(19)11-17-8-5-15-6-9-17/h12,15H,2-11H2,1H3,(H,16,20)
InChIKeyHOMJPKRXZRSVSR-UHFFFAOYSA-N
MW298.39 g/mol
LogP-0.37
Rot. Bonds4

About ethyl N-[1-(2-piperazin-1-ylacetyl)piperidin-3-yl]carbamate

ethyl N-[1-(2-piperazin-1-ylacetyl)piperidin-3-yl]carbamate (PubChem CID 60963639) has the molecular formula C14H26N4O3 and a molecular weight of 298.39 g/mol. Its IUPAC name is ethyl N-[1-(2-piperazin-1-ylacetyl)piperidin-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-(2-piperazin-1-ylacetyl)piperidin-3-yl]carbamate
PubChem CID60963639
Molecular FormulaC14H26N4O3
Molecular Weight298.39 g/mol
Exact Mass298.20
IUPAC Nameethyl N-[1-(2-piperazin-1-ylacetyl)piperidin-3-yl]carbamate
SMILESCCOC(=O)NC1CCCN(C(=O)CN2CCNCC2)C1
InChIInChI=1S/C14H26N4O3/c1-2-21-14(20)16-12-4-3-7-18(10-12)13(19)11-17-8-5-15-6-9-17/h12,15H,2-11H2,1H3,(H,16,20)
InChIKeyHOMJPKRXZRSVSR-UHFFFAOYSA-N
XLogP-0.37
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-[1-(3-aminopropanoyl)piperidin-3-yl]carbamate
CID 54873265
ethyl 1-(2-piperazin-1-ylacetyl)piperidine-3-carboxylate
CID 43130738
ethyl N-[1-(4-methylpiperidine-4-carbonyl)piperidin-3-yl]carbamate
CID 63121976
ethyl N-[1-[2-(cyclopropylamino)acetyl]piperidin-3-yl]carbamate
CID 54873299
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-[(3S)-1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]carbamate
CID 94187844
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
ethyl 3-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-3-oxopropanoate
CID 174735969

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-(2-piperazin-1-ylacetyl)piperidin-3-yl]carbamate?
The IUPAC name of ethyl N-[1-(2-piperazin-1-ylacetyl)piperidin-3-yl]carbamate (CID 60963639) is ethyl N-[1-(2-piperazin-1-ylacetyl)piperidin-3-yl]carbamate.
What is the SMILES notation for ethyl N-[1-(2-piperazin-1-ylacetyl)piperidin-3-yl]carbamate?
The canonical SMILES for ethyl N-[1-(2-piperazin-1-ylacetyl)piperidin-3-yl]carbamate is CCOC(=O)NC1CCCN(C(=O)CN2CCNCC2)C1.
What is the InChIKey of ethyl N-[1-(2-piperazin-1-ylacetyl)piperidin-3-yl]carbamate?
The InChIKey is HOMJPKRXZRSVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O3/c1-2-21-14(20)16-12-4-3-7-18(10-12)13(19)11-17-8-5-15-6-9-17/h12,15H,2-11H2,1H3,(H,16,20).
What are the key properties of ethyl N-[1-(2-piperazin-1-ylacetyl)piperidin-3-yl]carbamate?
ethyl N-[1-(2-piperazin-1-ylacetyl)piperidin-3-yl]carbamate has a molecular weight of 298.39 g/mol, XLogP of -0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-(2-piperazin-1-ylacetyl)piperidin-3-yl]carbamate is sourced from PubChem (CID 60963639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).