2-(4-cyclohexylpiperazin-1-yl)-N-(furan-2-ylmethyl)propanamide

C18H29N3O2 — CID 3824270

IUPAC2-(4-cyclohexylpiperazin-1-yl)-N-(furan-2-ylmethyl)propanamide
SMILESCC(C(=O)NCc1ccco1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C18H29N3O2/c1-15(18(22)19-14-17-8-5-13-23-17)20-9-11-21(12-10-20)16-6-3-2-4-7-16/h5,8,13,15-16H,2-4,6-7,9-12,14H2,1H3,(H,19,22)
InChIKeyGAJQBJFGWWXUPM-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.23
Rot. Bonds5

About 2-(4-cyclohexylpiperazin-1-yl)-N-(furan-2-ylmethyl)propanamide

2-(4-cyclohexylpiperazin-1-yl)-N-(furan-2-ylmethyl)propanamide (PubChem CID 3824270) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 2-(4-cyclohexylpiperazin-1-yl)-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(4-cyclohexylpiperazin-1-yl)-N-(furan-2-ylmethyl)propanamide
PubChem CID3824270
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name2-(4-cyclohexylpiperazin-1-yl)-N-(furan-2-ylmethyl)propanamide
SMILESCC(C(=O)NCc1ccco1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C18H29N3O2/c1-15(18(22)19-14-17-8-5-13-23-17)20-9-11-21(12-10-20)16-6-3-2-4-7-16/h5,8,13,15-16H,2-4,6-7,9-12,14H2,1H3,(H,19,22)
InChIKeyGAJQBJFGWWXUPM-UHFFFAOYSA-N
XLogP2.23
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3R)-3-aminopyrrolidin-1-yl]-N-(furan-2-ylmethyl)propanamide
CID 115301891
2-(3-formylpiperidin-1-yl)-N-(furan-2-ylmethyl)propanamide
CID 62656030
N-(furan-2-ylmethyl)-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]propanamide
CID 63853927
methyl 1-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylate
CID 112730735
N-(furan-2-ylmethyl)-1-[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 94821891
methyl 1-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate
CID 62026904
N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]cyclohexanecarboxamide
CID 94216559
1-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-3-methylpiperidine-2-carboxylic acid
CID 107072033
(2S)-2-[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-N-[(2-chlorophenyl)methyl]propanamide
CID 124777590
(2S)-2-(4-cyclopentylpiperazin-1-yl)-N-prop-2-enylpropanamide
CID 94062189
(2S)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-N-(furan-2-ylmethyl)propanamide
CID 39983079
2-[1-(furan-2-yl)propan-2-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939766

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexylpiperazin-1-yl)-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of 2-(4-cyclohexylpiperazin-1-yl)-N-(furan-2-ylmethyl)propanamide (CID 3824270) is 2-(4-cyclohexylpiperazin-1-yl)-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for 2-(4-cyclohexylpiperazin-1-yl)-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for 2-(4-cyclohexylpiperazin-1-yl)-N-(furan-2-ylmethyl)propanamide is CC(C(=O)NCc1ccco1)N1CCN(C2CCCCC2)CC1.
What is the InChIKey of 2-(4-cyclohexylpiperazin-1-yl)-N-(furan-2-ylmethyl)propanamide?
The InChIKey is GAJQBJFGWWXUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-15(18(22)19-14-17-8-5-13-23-17)20-9-11-21(12-10-20)16-6-3-2-4-7-16/h5,8,13,15-16H,2-4,6-7,9-12,14H2,1H3,(H,19,22).
What are the key properties of 2-(4-cyclohexylpiperazin-1-yl)-N-(furan-2-ylmethyl)propanamide?
2-(4-cyclohexylpiperazin-1-yl)-N-(furan-2-ylmethyl)propanamide has a molecular weight of 319.45 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexylpiperazin-1-yl)-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 3824270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).