2-(furan-2-yl)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopropane-1-carboxamide

C20H25N3O2 — CID 71936659

IUPAC2-(furan-2-yl)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopropane-1-carboxamide
SMILESCN1CCN(Cc2ccc(NC(=O)C3CC3c3ccco3)cc2)CC1
InChIInChI=1S/C20H25N3O2/c1-22-8-10-23(11-9-22)14-15-4-6-16(7-5-15)21-20(24)18-13-17(18)19-3-2-12-25-19/h2-7,12,17-18H,8-11,13-14H2,1H3,(H,21,24)
InChIKeyKWSHKNNXUWHHJY-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.77
Rot. Bonds5

About 2-(furan-2-yl)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopropane-1-carboxamide

2-(furan-2-yl)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopropane-1-carboxamide (PubChem CID 71936659) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(furan-2-yl)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopropane-1-carboxamide
PubChem CID71936659
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name2-(furan-2-yl)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopropane-1-carboxamide
SMILESCN1CCN(Cc2ccc(NC(=O)C3CC3c3ccco3)cc2)CC1
InChIInChI=1S/C20H25N3O2/c1-22-8-10-23(11-9-22)14-15-4-6-16(7-5-15)21-20(24)18-13-17(18)19-3-2-12-25-19/h2-7,12,17-18H,8-11,13-14H2,1H3,(H,21,24)
InChIKeyKWSHKNNXUWHHJY-UHFFFAOYSA-N
XLogP2.77
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[4-[[2-(furan-2-yl)cyclopropanecarbonyl]amino]phenyl]carbamate
CID 86851812
2-(furan-2-yl)-N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)cyclopropane-1-carboxamide
CID 86852022
N-[3-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55843395
N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 86851788
cis-(1S,2R)-2-(furan-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide
CID 52518249
trans-(1S,2S)-2-(furan-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide
CID 52518250
2,2,2-trichloro-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide
CID 108743657
trans-(1R,2R)-N-(5-acetamido-2-chlorophenyl)-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 95178804
2-chloro-5-[[2-(furan-2-yl)cyclopropanecarbonyl]amino]-N,N-dimethylbenzamide
CID 86851775
5-[[(1R,2R)-2-(furan-2-yl)cyclopropanecarbonyl]amino]-1-N,3-N-dimethylbenzene-1,3-dicarboxamide
CID 166375052
N-(2,5-dimethylpyrazol-3-yl)-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 47449977
N-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 75405611

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(furan-2-yl)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopropane-1-carboxamide (CID 71936659) is 2-(furan-2-yl)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(furan-2-yl)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(furan-2-yl)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopropane-1-carboxamide is CN1CCN(Cc2ccc(NC(=O)C3CC3c3ccco3)cc2)CC1.
What is the InChIKey of 2-(furan-2-yl)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopropane-1-carboxamide?
The InChIKey is KWSHKNNXUWHHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-22-8-10-23(11-9-22)14-15-4-6-16(7-5-15)21-20(24)18-13-17(18)19-3-2-12-25-19/h2-7,12,17-18H,8-11,13-14H2,1H3,(H,21,24).
What are the key properties of 2-(furan-2-yl)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopropane-1-carboxamide?
2-(furan-2-yl)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopropane-1-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 71936659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).