(3S)-4-ethyl-N-(furan-2-ylmethyl)-3-(1-methylimidazol-2-yl)piperazine-1-carboxamide

C16H23N5O2 — CID 129327735

IUPAC(3S)-4-ethyl-N-(furan-2-ylmethyl)-3-(1-methylimidazol-2-yl)piperazine-1-carboxamide
SMILESCCN1CCN(C(=O)NCc2ccco2)C[C@H]1c1nccn1C
InChIInChI=1S/C16H23N5O2/c1-3-20-8-9-21(12-14(20)15-17-6-7-19(15)2)16(22)18-11-13-5-4-10-23-13/h4-7,10,14H,3,8-9,11-12H2,1-2H3,(H,18,22)/t14-/m0/s1
InChIKeyAILMYWWIRCUSJM-AWEZNQCLSA-N
MW317.39 g/mol
LogP1.60
Rot. Bonds4

About (3S)-4-ethyl-N-(furan-2-ylmethyl)-3-(1-methylimidazol-2-yl)piperazine-1-carboxamide

(3S)-4-ethyl-N-(furan-2-ylmethyl)-3-(1-methylimidazol-2-yl)piperazine-1-carboxamide (PubChem CID 129327735) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is (3S)-4-ethyl-N-(furan-2-ylmethyl)-3-(1-methylimidazol-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name(3S)-4-ethyl-N-(furan-2-ylmethyl)-3-(1-methylimidazol-2-yl)piperazine-1-carboxamide
PubChem CID129327735
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name(3S)-4-ethyl-N-(furan-2-ylmethyl)-3-(1-methylimidazol-2-yl)piperazine-1-carboxamide
SMILESCCN1CCN(C(=O)NCc2ccco2)C[C@H]1c1nccn1C
InChIInChI=1S/C16H23N5O2/c1-3-20-8-9-21(12-14(20)15-17-6-7-19(15)2)16(22)18-11-13-5-4-10-23-13/h4-7,10,14H,3,8-9,11-12H2,1-2H3,(H,18,22)/t14-/m0/s1
InChIKeyAILMYWWIRCUSJM-AWEZNQCLSA-N
XLogP1.60
TPSA66.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-3-(1-methylimidazol-2-yl)-N-(1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 129006019
[(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(furan-3-yl)methanone
CID 129329973
(3R)-N-(furan-2-ylmethyl)-3-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide
CID 97075763
[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
CID 129007007
[(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
CID 129338040
[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 128972777
1-[(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-2-thiophen-2-ylethanone
CID 129338796
(3R)-N-benzyl-4-methyl-3-(1-methylimidazol-2-yl)piperazine-1-carboxamide
CID 129478300
(3R)-4-ethyl-3-(1-methylimidazol-2-yl)-N-(1-methylpyrazol-4-yl)piperazine-1-carboxamide
CID 129335168
4-ethyl-3-(1-methylimidazol-2-yl)-N-(4-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 128995946
(3S)-4-ethyl-3-(1-methylimidazol-2-yl)-N-(4-methyl-3-pyridinyl)piperazine-1-carboxamide
CID 129339331
[(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 129329650

Frequently Asked Questions

What is the IUPAC name of (3S)-4-ethyl-N-(furan-2-ylmethyl)-3-(1-methylimidazol-2-yl)piperazine-1-carboxamide?
The IUPAC name of (3S)-4-ethyl-N-(furan-2-ylmethyl)-3-(1-methylimidazol-2-yl)piperazine-1-carboxamide (CID 129327735) is (3S)-4-ethyl-N-(furan-2-ylmethyl)-3-(1-methylimidazol-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for (3S)-4-ethyl-N-(furan-2-ylmethyl)-3-(1-methylimidazol-2-yl)piperazine-1-carboxamide?
The canonical SMILES for (3S)-4-ethyl-N-(furan-2-ylmethyl)-3-(1-methylimidazol-2-yl)piperazine-1-carboxamide is CCN1CCN(C(=O)NCc2ccco2)C[C@H]1c1nccn1C.
What is the InChIKey of (3S)-4-ethyl-N-(furan-2-ylmethyl)-3-(1-methylimidazol-2-yl)piperazine-1-carboxamide?
The InChIKey is AILMYWWIRCUSJM-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-3-20-8-9-21(12-14(20)15-17-6-7-19(15)2)16(22)18-11-13-5-4-10-23-13/h4-7,10,14H,3,8-9,11-12H2,1-2H3,(H,18,22)/t14-/m0/s1.
What are the key properties of (3S)-4-ethyl-N-(furan-2-ylmethyl)-3-(1-methylimidazol-2-yl)piperazine-1-carboxamide?
(3S)-4-ethyl-N-(furan-2-ylmethyl)-3-(1-methylimidazol-2-yl)piperazine-1-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-ethyl-N-(furan-2-ylmethyl)-3-(1-methylimidazol-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 129327735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).