N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-(3-methylphenyl)piperazine-1-carboxamide

C24H27N3O3 — CID 55820320

IUPACN-[3-(furan-2-ylmethoxymethyl)phenyl]-4-(3-methylphenyl)piperazine-1-carboxamide
SMILESCc1cccc(N2CCN(C(=O)Nc3cccc(COCc4ccco4)c3)CC2)c1
InChIInChI=1S/C24H27N3O3/c1-19-5-2-8-22(15-19)26-10-12-27(13-11-26)24(28)25-21-7-3-6-20(16-21)17-29-18-23-9-4-14-30-23/h2-9,14-16H,10-13,17-18H2,1H3,(H,25,28)
InChIKeyJQKBGSFZWFEPLZ-UHFFFAOYSA-N
MW405.50 g/mol
LogP4.66
Rot. Bonds6

About N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-(3-methylphenyl)piperazine-1-carboxamide

N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-(3-methylphenyl)piperazine-1-carboxamide (PubChem CID 55820320) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-(3-methylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(furan-2-ylmethoxymethyl)phenyl]-4-(3-methylphenyl)piperazine-1-carboxamide
PubChem CID55820320
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC NameN-[3-(furan-2-ylmethoxymethyl)phenyl]-4-(3-methylphenyl)piperazine-1-carboxamide
SMILESCc1cccc(N2CCN(C(=O)Nc3cccc(COCc4ccco4)c3)CC2)c1
InChIInChI=1S/C24H27N3O3/c1-19-5-2-8-22(15-19)26-10-12-27(13-11-26)24(28)25-21-7-3-6-20(16-21)17-29-18-23-9-4-14-30-23/h2-9,14-16H,10-13,17-18H2,1H3,(H,25,28)
InChIKeyJQKBGSFZWFEPLZ-UHFFFAOYSA-N
XLogP4.66
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(furan-2-ylmethoxymethyl)phenyl]thiomorpholine-4-carboxamide
CID 51085468
N-[3-(2-methoxyethoxymethyl)phenyl]-4-phenylpiperazine-1-carboxamide
CID 51118836
2-(cyclopropanecarbonyl)-N-[3-(furan-2-ylmethoxymethyl)phenyl]morpholine-4-carboxamide
CID 102563648
4-(3-methoxyphenyl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 16645833
4-(3-methylphenyl)-N-(3-pyrrol-1-ylphenyl)piperazine-1-carboxamide
CID 56505268
(3R)-N-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 97321201
N-[3-(furan-2-ylmethoxymethyl)phenyl]-5-(methanesulfonamido)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 100662278
1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-[1-(2-methylpropanoyl)piperidin-4-yl]urea
CID 55819679
4-(3-methylphenyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 108866738
4-(3-cyanophenyl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 113111248
3,3,3-trifluoro-N-[3-(furan-2-ylmethoxymethyl)phenyl]propanamide
CID 47048652
N-(3-methylphenyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 113111218

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-(3-methylphenyl)piperazine-1-carboxamide?
The IUPAC name of N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-(3-methylphenyl)piperazine-1-carboxamide (CID 55820320) is N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-(3-methylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-(3-methylphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-(3-methylphenyl)piperazine-1-carboxamide is Cc1cccc(N2CCN(C(=O)Nc3cccc(COCc4ccco4)c3)CC2)c1.
What is the InChIKey of N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-(3-methylphenyl)piperazine-1-carboxamide?
The InChIKey is JQKBGSFZWFEPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-19-5-2-8-22(15-19)26-10-12-27(13-11-26)24(28)25-21-7-3-6-20(16-21)17-29-18-23-9-4-14-30-23/h2-9,14-16H,10-13,17-18H2,1H3,(H,25,28).
What are the key properties of N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-(3-methylphenyl)piperazine-1-carboxamide?
N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-(3-methylphenyl)piperazine-1-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-(3-methylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 55820320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).