N-(2,3-dimethylphenyl)-4-(furan-2-ylmethyl)piperazine-1-carboxamide

C18H23N3O2 — CID 113106397

IUPACN-(2,3-dimethylphenyl)-4-(furan-2-ylmethyl)piperazine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCN(Cc3ccco3)CC2)c1C
InChIInChI=1S/C18H23N3O2/c1-14-5-3-7-17(15(14)2)19-18(22)21-10-8-20(9-11-21)13-16-6-4-12-23-16/h3-7,12H,8-11,13H2,1-2H3,(H,19,22)
InChIKeyBZHQBQUZYWOFPK-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.25
Rot. Bonds3

About N-(2,3-dimethylphenyl)-4-(furan-2-ylmethyl)piperazine-1-carboxamide

N-(2,3-dimethylphenyl)-4-(furan-2-ylmethyl)piperazine-1-carboxamide (PubChem CID 113106397) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-4-(furan-2-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-4-(furan-2-ylmethyl)piperazine-1-carboxamide
PubChem CID113106397
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-(2,3-dimethylphenyl)-4-(furan-2-ylmethyl)piperazine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCN(Cc3ccco3)CC2)c1C
InChIInChI=1S/C18H23N3O2/c1-14-5-3-7-17(15(14)2)19-18(22)21-10-8-20(9-11-21)13-16-6-4-12-23-16/h3-7,12H,8-11,13H2,1-2H3,(H,19,22)
InChIKeyBZHQBQUZYWOFPK-UHFFFAOYSA-N
XLogP3.25
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(furan-2-ylmethyl)-N-naphthalen-1-ylpiperazine-1-carboxamide
CID 17379875
N-(2,3-dimethylphenyl)-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 17297980
N-(2,3-dimethylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 17149203
1-[4-(furan-2-ylmethyl)piperazin-1-yl]butane-1,3-dione
CID 54876665
4-[3-(dimethylamino)-3-oxopropyl]-N-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 71917913
N-(2,3-dimethylphenyl)-4-(3-methoxypropyl)piperazine-1-carboxamide
CID 113105204
4-(furan-2-ylmethyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 6464316
tert-butyl N-[4-[[4-(furan-2-ylmethyl)piperazine-1-carbonyl]amino]phenyl]carbamate
CID 86892866
(2S)-N-(3-chloro-2-methylphenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]propanamide
CID 30740476
N-(2,3-dimethylphenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 109030173
1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 17249414
N-[2-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-oxoethyl]-2-methylbenzamide
CID 46538728

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-4-(furan-2-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-4-(furan-2-ylmethyl)piperazine-1-carboxamide (CID 113106397) is N-(2,3-dimethylphenyl)-4-(furan-2-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-4-(furan-2-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-4-(furan-2-ylmethyl)piperazine-1-carboxamide is Cc1cccc(NC(=O)N2CCN(Cc3ccco3)CC2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-4-(furan-2-ylmethyl)piperazine-1-carboxamide?
The InChIKey is BZHQBQUZYWOFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-14-5-3-7-17(15(14)2)19-18(22)21-10-8-20(9-11-21)13-16-6-4-12-23-16/h3-7,12H,8-11,13H2,1-2H3,(H,19,22).
What are the key properties of N-(2,3-dimethylphenyl)-4-(furan-2-ylmethyl)piperazine-1-carboxamide?
N-(2,3-dimethylphenyl)-4-(furan-2-ylmethyl)piperazine-1-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-4-(furan-2-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 113106397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).