N-benzyl-4-[(5-methylfuran-2-yl)methyl]piperazine-1-carboxamide

C18H23N3O2 — CID 176672860

IUPACN-benzyl-4-[(5-methylfuran-2-yl)methyl]piperazine-1-carboxamide
SMILESCc1ccc(CN2CCN(C(=O)NCc3ccccc3)CC2)o1
InChIInChI=1S/C18H23N3O2/c1-15-7-8-17(23-15)14-20-9-11-21(12-10-20)18(22)19-13-16-5-3-2-4-6-16/h2-8H,9-14H2,1H3,(H,19,22)
InChIKeyDUGDEALXSUCCHP-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.62
Rot. Bonds4

About N-benzyl-4-[(5-methylfuran-2-yl)methyl]piperazine-1-carboxamide

N-benzyl-4-[(5-methylfuran-2-yl)methyl]piperazine-1-carboxamide (PubChem CID 176672860) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-benzyl-4-[(5-methylfuran-2-yl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-[(5-methylfuran-2-yl)methyl]piperazine-1-carboxamide
PubChem CID176672860
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-benzyl-4-[(5-methylfuran-2-yl)methyl]piperazine-1-carboxamide
SMILESCc1ccc(CN2CCN(C(=O)NCc3ccccc3)CC2)o1
InChIInChI=1S/C18H23N3O2/c1-15-7-8-17(23-15)14-20-9-11-21(12-10-20)18(22)19-13-16-5-3-2-4-6-16/h2-8H,9-14H2,1H3,(H,19,22)
InChIKeyDUGDEALXSUCCHP-UHFFFAOYSA-N
XLogP2.62
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,4-dibenzylpiperazine-1-carboxamide;ethane
CID 91343107
N-benzyl-5-[(4-benzylpiperazin-1-yl)methyl]furan-2-carboxamide
CID 46055527
N-benzyl-4-(2-methylpropyl)piperazine-1-carboxamide
CID 47120826
N-(4-chlorophenyl)-4-[(5-methylfuran-2-yl)methyl]piperazine-1-carboxamide
CID 17126963
N-benzyl-4-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 858309
N-benzyl-4-[(3-fluorophenyl)methyl]piperazine-1-carboxamide
CID 155292939
4-benzyl-N-[(3-bromophenyl)methyl]piperazine-1-carboxamide
CID 108898851
N-[(4-chlorophenyl)methyl]-4-(furan-2-ylmethyl)piperazine-1-carboxamide
CID 113106373
4-benzyl-N-[(4-morpholin-4-ylphenyl)methyl]piperazine-1-carboxamide
CID 60570095
N-benzyl-4,4-dimethylpiperidine-1-carboxamide
CID 110749470
N-benzylazonane-1-carboxamide
CID 130689649
N-benzyl-4-(2,2-dimethylpropanoyl)piperazine-1-carboxamide
CID 110810660

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[(5-methylfuran-2-yl)methyl]piperazine-1-carboxamide?
The IUPAC name of N-benzyl-4-[(5-methylfuran-2-yl)methyl]piperazine-1-carboxamide (CID 176672860) is N-benzyl-4-[(5-methylfuran-2-yl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-benzyl-4-[(5-methylfuran-2-yl)methyl]piperazine-1-carboxamide?
The canonical SMILES for N-benzyl-4-[(5-methylfuran-2-yl)methyl]piperazine-1-carboxamide is Cc1ccc(CN2CCN(C(=O)NCc3ccccc3)CC2)o1.
What is the InChIKey of N-benzyl-4-[(5-methylfuran-2-yl)methyl]piperazine-1-carboxamide?
The InChIKey is DUGDEALXSUCCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-15-7-8-17(23-15)14-20-9-11-21(12-10-20)18(22)19-13-16-5-3-2-4-6-16/h2-8H,9-14H2,1H3,(H,19,22).
What are the key properties of N-benzyl-4-[(5-methylfuran-2-yl)methyl]piperazine-1-carboxamide?
N-benzyl-4-[(5-methylfuran-2-yl)methyl]piperazine-1-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[(5-methylfuran-2-yl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 176672860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).