5-(methoxymethyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]furan-2-carboxamide

C22H31N3O3 — CID 78868715

IUPAC5-(methoxymethyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]furan-2-carboxamide
SMILESCOCc1ccc(C(=O)NC(C)CCN2CCN(c3cccc(C)c3)CC2)o1
InChIInChI=1S/C22H31N3O3/c1-17-5-4-6-19(15-17)25-13-11-24(12-14-25)10-9-18(2)23-22(26)21-8-7-20(28-21)16-27-3/h4-8,15,18H,9-14,16H2,1-3H3,(H,23,26)
InChIKeyVYFWAONJPVVPMQ-UHFFFAOYSA-N
MW385.51 g/mol
LogP3.07
Rot. Bonds8

About 5-(methoxymethyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]furan-2-carboxamide

5-(methoxymethyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]furan-2-carboxamide (PubChem CID 78868715) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is 5-(methoxymethyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(methoxymethyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]furan-2-carboxamide
PubChem CID78868715
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC Name5-(methoxymethyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]furan-2-carboxamide
SMILESCOCc1ccc(C(=O)NC(C)CCN2CCN(c3cccc(C)c3)CC2)o1
InChIInChI=1S/C22H31N3O3/c1-17-5-4-6-19(15-17)25-13-11-24(12-14-25)10-9-18(2)23-22(26)21-8-7-20(28-21)16-27-3/h4-8,15,18H,9-14,16H2,1-3H3,(H,23,26)
InChIKeyVYFWAONJPVVPMQ-UHFFFAOYSA-N
XLogP3.07
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]thiophene-2-carboxamide
CID 55662630
3-(3-methylphenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]propanamide
CID 55662778
4-(2-methoxyethoxy)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]piperidine-1-carboxamide
CID 86964366
trans-(1S,2S)-2-methyl-N-[(2S)-4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]cyclopropane-1-carboxamide
CID 36635694
3-methyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]-2-nitrobenzamide
CID 55662809
3-methyl-N-[(2S)-4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 51956469
1-methyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]-2-oxoquinoline-4-carboxamide
CID 55762459
2-methyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55969249
N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 55662661
N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]-2-(4-nitrophenyl)sulfanylpropanamide
CID 55662841
5-(methoxymethyl)-N-[(2R)-1-(6-methyl-2-pyridinyl)propan-2-yl]furan-2-carboxamide
CID 124751971
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]acetamide
CID 60501653

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]furan-2-carboxamide?
The IUPAC name of 5-(methoxymethyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]furan-2-carboxamide (CID 78868715) is 5-(methoxymethyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]furan-2-carboxamide.
What is the SMILES notation for 5-(methoxymethyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]furan-2-carboxamide?
The canonical SMILES for 5-(methoxymethyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]furan-2-carboxamide is COCc1ccc(C(=O)NC(C)CCN2CCN(c3cccc(C)c3)CC2)o1.
What is the InChIKey of 5-(methoxymethyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]furan-2-carboxamide?
The InChIKey is VYFWAONJPVVPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-17-5-4-6-19(15-17)25-13-11-24(12-14-25)10-9-18(2)23-22(26)21-8-7-20(28-21)16-27-3/h4-8,15,18H,9-14,16H2,1-3H3,(H,23,26).
What are the key properties of 5-(methoxymethyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]furan-2-carboxamide?
5-(methoxymethyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]furan-2-carboxamide has a molecular weight of 385.51 g/mol, XLogP of 3.07, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 78868715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).