(2R)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide

C19H25N3O2 — CID 30724914

IUPAC(2R)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)[C@@H](C)N2CCN(Cc3ccco3)CC2)cc1
InChIInChI=1S/C19H25N3O2/c1-15-5-7-17(8-6-15)20-19(23)16(2)22-11-9-21(10-12-22)14-18-4-3-13-24-18/h3-8,13,16H,9-12,14H2,1-2H3,(H,20,23)/t16-/m1/s1
InChIKeySHGQSJSZRLNHSI-MRXNPFEDSA-N
MW327.43 g/mol
LogP2.73
Rot. Bonds5

About (2R)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide

(2R)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide (PubChem CID 30724914) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is (2R)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide
PubChem CID30724914
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name(2R)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)[C@@H](C)N2CCN(Cc3ccco3)CC2)cc1
InChIInChI=1S/C19H25N3O2/c1-15-5-7-17(8-6-15)20-19(23)16(2)22-11-9-21(10-12-22)14-18-4-3-13-24-18/h3-8,13,16H,9-12,14H2,1-2H3,(H,20,23)/t16-/m1/s1
InChIKeySHGQSJSZRLNHSI-MRXNPFEDSA-N
XLogP2.73
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]-N-(2-methylsulfanylphenyl)propanamide
CID 31126851
(2S)-N-(3-chloro-2-methylphenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]propanamide
CID 30740476
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide
CID 4881494
N-[(4-fluorophenyl)methyl]-2-[4-(furan-2-ylmethyl)piperazin-1-yl]propanamide
CID 46674028
(2S)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(4-methylphenyl)propanamide
CID 30739585
1-(furan-2-ylmethyl)-4-[(4-methylphenyl)methyl]piperazine
CID 772071
(2S)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]propanamide
CID 30620235
2-(furan-2-ylmethylsulfanyl)-N-(4-methylphenyl)propanamide
CID 23970430
(2R)-N-phenyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide
CID 8720809
2-[4-(furan-2-ylmethyl)piperazin-1-yl]-1-(1H-indol-3-yl)propan-1-one
CID 51281818
(2R)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]-1-(1H-indol-3-yl)propan-1-one
CID 99802307
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide
CID 42858816

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide?
The IUPAC name of (2R)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide (CID 30724914) is (2R)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide.
What is the SMILES notation for (2R)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide?
The canonical SMILES for (2R)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide is Cc1ccc(NC(=O)[C@@H](C)N2CCN(Cc3ccco3)CC2)cc1.
What is the InChIKey of (2R)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide?
The InChIKey is SHGQSJSZRLNHSI-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-15-5-7-17(8-6-15)20-19(23)16(2)22-11-9-21(10-12-22)14-18-4-3-13-24-18/h3-8,13,16H,9-12,14H2,1-2H3,(H,20,23)/t16-/m1/s1.
What are the key properties of (2R)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide?
(2R)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide has a molecular weight of 327.43 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 30724914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).