4-[2-[1-(aminomethyl)cyclohexyl]acetyl]-3-ethylpiperazin-2-one

C15H27N3O2 — CID 104678212

IUPAC4-[2-[1-(aminomethyl)cyclohexyl]acetyl]-3-ethylpiperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)CC1(CN)CCCCC1
InChIInChI=1S/C15H27N3O2/c1-2-12-14(20)17-8-9-18(12)13(19)10-15(11-16)6-4-3-5-7-15/h12H,2-11,16H2,1H3,(H,17,20)
InChIKeyKDPCXTMKTUTASR-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.02
Rot. Bonds4

About 4-[2-[1-(aminomethyl)cyclohexyl]acetyl]-3-ethylpiperazin-2-one

4-[2-[1-(aminomethyl)cyclohexyl]acetyl]-3-ethylpiperazin-2-one (PubChem CID 104678212) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-[2-[1-(aminomethyl)cyclohexyl]acetyl]-3-ethylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-[1-(aminomethyl)cyclohexyl]acetyl]-3-ethylpiperazin-2-one
PubChem CID104678212
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name4-[2-[1-(aminomethyl)cyclohexyl]acetyl]-3-ethylpiperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)CC1(CN)CCCCC1
InChIInChI=1S/C15H27N3O2/c1-2-12-14(20)17-8-9-18(12)13(19)10-15(11-16)6-4-3-5-7-15/h12H,2-11,16H2,1H3,(H,17,20)
InChIKeyKDPCXTMKTUTASR-UHFFFAOYSA-N
XLogP1.02
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-(aminomethyl)cyclohexyl]acetyl]-3-ethylpiperazin-2-one?
The IUPAC name of 4-[2-[1-(aminomethyl)cyclohexyl]acetyl]-3-ethylpiperazin-2-one (CID 104678212) is 4-[2-[1-(aminomethyl)cyclohexyl]acetyl]-3-ethylpiperazin-2-one.
What is the SMILES notation for 4-[2-[1-(aminomethyl)cyclohexyl]acetyl]-3-ethylpiperazin-2-one?
The canonical SMILES for 4-[2-[1-(aminomethyl)cyclohexyl]acetyl]-3-ethylpiperazin-2-one is CCC1C(=O)NCCN1C(=O)CC1(CN)CCCCC1.
What is the InChIKey of 4-[2-[1-(aminomethyl)cyclohexyl]acetyl]-3-ethylpiperazin-2-one?
The InChIKey is KDPCXTMKTUTASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-2-12-14(20)17-8-9-18(12)13(19)10-15(11-16)6-4-3-5-7-15/h12H,2-11,16H2,1H3,(H,17,20).
What are the key properties of 4-[2-[1-(aminomethyl)cyclohexyl]acetyl]-3-ethylpiperazin-2-one?
4-[2-[1-(aminomethyl)cyclohexyl]acetyl]-3-ethylpiperazin-2-one has a molecular weight of 281.40 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-(aminomethyl)cyclohexyl]acetyl]-3-ethylpiperazin-2-one is sourced from PubChem (CID 104678212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).