4-(furan-2-ylmethyl)-N-naphthalen-1-ylpiperazine-1-carboxamide

C20H21N3O2 — CID 17379875

IUPAC4-(furan-2-ylmethyl)-N-naphthalen-1-ylpiperazine-1-carboxamide
SMILESO=C(Nc1cccc2ccccc12)N1CCN(Cc2ccco2)CC1
InChIInChI=1S/C20H21N3O2/c24-20(21-19-9-3-6-16-5-1-2-8-18(16)19)23-12-10-22(11-13-23)15-17-7-4-14-25-17/h1-9,14H,10-13,15H2,(H,21,24)
InChIKeyDVBKUIPSPLWUKF-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.78
Rot. Bonds3

About 4-(furan-2-ylmethyl)-N-naphthalen-1-ylpiperazine-1-carboxamide

4-(furan-2-ylmethyl)-N-naphthalen-1-ylpiperazine-1-carboxamide (PubChem CID 17379875) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 4-(furan-2-ylmethyl)-N-naphthalen-1-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(furan-2-ylmethyl)-N-naphthalen-1-ylpiperazine-1-carboxamide
PubChem CID17379875
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name4-(furan-2-ylmethyl)-N-naphthalen-1-ylpiperazine-1-carboxamide
SMILESO=C(Nc1cccc2ccccc12)N1CCN(Cc2ccco2)CC1
InChIInChI=1S/C20H21N3O2/c24-20(21-19-9-3-6-16-5-1-2-8-18(16)19)23-12-10-22(11-13-23)15-17-7-4-14-25-17/h1-9,14H,10-13,15H2,(H,21,24)
InChIKeyDVBKUIPSPLWUKF-UHFFFAOYSA-N
XLogP3.78
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(furan-2-ylmethyl)piperazin-1-yl]-N-naphthalen-1-ylpropanamide
CID 30737698
N-(2,3-dimethylphenyl)-4-(furan-2-ylmethyl)piperazine-1-carboxamide
CID 113106397
methyl 4-(naphthalen-1-ylcarbamoyl)piperazine-1-carboxylate
CID 108884718
4-formyl-N-naphthalen-1-ylpiperazine-1-carboxamide
CID 3736870
N-naphthalen-1-yl-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide
CID 17445165
N-naphthalen-1-yl-4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carboxamide
CID 17465723
4-(furan-2-ylmethyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 6464316
4-cyclopropyl-N-naphthalen-1-ylpiperazine-1-carboxamide
CID 51096006
N-[(4-chlorophenyl)methyl]-4-(furan-2-ylmethyl)piperazine-1-carboxamide
CID 113106373
4-[2-(cyclopropylamino)-2-oxoethyl]-N-naphthalen-1-ylpiperazine-1-carboxamide
CID 30705203
4-(furan-2-ylmethyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 113106387
tert-butyl N-[4-[[4-(furan-2-ylmethyl)piperazine-1-carbonyl]amino]phenyl]carbamate
CID 86892866

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-ylmethyl)-N-naphthalen-1-ylpiperazine-1-carboxamide?
The IUPAC name of 4-(furan-2-ylmethyl)-N-naphthalen-1-ylpiperazine-1-carboxamide (CID 17379875) is 4-(furan-2-ylmethyl)-N-naphthalen-1-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(furan-2-ylmethyl)-N-naphthalen-1-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-(furan-2-ylmethyl)-N-naphthalen-1-ylpiperazine-1-carboxamide is O=C(Nc1cccc2ccccc12)N1CCN(Cc2ccco2)CC1.
What is the InChIKey of 4-(furan-2-ylmethyl)-N-naphthalen-1-ylpiperazine-1-carboxamide?
The InChIKey is DVBKUIPSPLWUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c24-20(21-19-9-3-6-16-5-1-2-8-18(16)19)23-12-10-22(11-13-23)15-17-7-4-14-25-17/h1-9,14H,10-13,15H2,(H,21,24).
What are the key properties of 4-(furan-2-ylmethyl)-N-naphthalen-1-ylpiperazine-1-carboxamide?
4-(furan-2-ylmethyl)-N-naphthalen-1-ylpiperazine-1-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-ylmethyl)-N-naphthalen-1-ylpiperazine-1-carboxamide is sourced from PubChem (CID 17379875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).