N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-1-(4-methylpiperazin-1-yl)cyclopentane-1-carboxamide

C24H39N3O3 — CID 75423542

IUPACN-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-1-(4-methylpiperazin-1-yl)cyclopentane-1-carboxamide
SMILESCOc1cc(CNC(=O)C2(N3CCN(C)CC3)CCCC2)ccc1OCCC(C)C
InChIInChI=1S/C24H39N3O3/c1-19(2)9-16-30-21-8-7-20(17-22(21)29-4)18-25-23(28)24(10-5-6-11-24)27-14-12-26(3)13-15-27/h7-8,17,19H,5-6,9-16,18H2,1-4H3,(H,25,28)
InChIKeyLMVLNNAAOSUABS-UHFFFAOYSA-N
MW417.59 g/mol
LogP3.30
Rot. Bonds9

About N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-1-(4-methylpiperazin-1-yl)cyclopentane-1-carboxamide

N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-1-(4-methylpiperazin-1-yl)cyclopentane-1-carboxamide (PubChem CID 75423542) has the molecular formula C24H39N3O3 and a molecular weight of 417.59 g/mol. Its IUPAC name is N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-1-(4-methylpiperazin-1-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-1-(4-methylpiperazin-1-yl)cyclopentane-1-carboxamide
PubChem CID75423542
Molecular FormulaC24H39N3O3
Molecular Weight417.59 g/mol
Exact Mass417.30
IUPAC NameN-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-1-(4-methylpiperazin-1-yl)cyclopentane-1-carboxamide
SMILESCOc1cc(CNC(=O)C2(N3CCN(C)CC3)CCCC2)ccc1OCCC(C)C
InChIInChI=1S/C24H39N3O3/c1-19(2)9-16-30-21-8-7-20(17-22(21)29-4)18-25-23(28)24(10-5-6-11-24)27-14-12-26(3)13-15-27/h7-8,17,19H,5-6,9-16,18H2,1-4H3,(H,25,28)
InChIKeyLMVLNNAAOSUABS-UHFFFAOYSA-N
XLogP3.30
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.59
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-1-(4-methylpiperazin-1-yl)cyclopentane-1-carboxamide with MolForge

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Related Compounds

2-cyclopentyl-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]acetamide
CID 54786541
N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 60616453
N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-phenylacetamide
CID 54776536
N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-(2-methylphenyl)acetamide
CID 54776657
1-N'-[(3,4-dimethoxyphenyl)methyl]-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide
CID 108978428
3-(1,3-dioxoisoindol-2-yl)-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]propanamide
CID 55725283
N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-(3-methoxyphenyl)acetamide
CID 55713345
4-(difluoromethoxy)-3-methoxy-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]benzamide
CID 55713768
N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetamide
CID 55717474
3,4,5-trimethoxy-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methylcarbamothioyl]benzamide
CID 54776880
1-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]piperidine-2-carboxylic acid
CID 3901427
3-methoxy-4-(3-methylbutoxy)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
CID 78868532

Frequently Asked Questions

What is the IUPAC name of N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-1-(4-methylpiperazin-1-yl)cyclopentane-1-carboxamide?
The IUPAC name of N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-1-(4-methylpiperazin-1-yl)cyclopentane-1-carboxamide (CID 75423542) is N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-1-(4-methylpiperazin-1-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-1-(4-methylpiperazin-1-yl)cyclopentane-1-carboxamide?
The canonical SMILES for N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-1-(4-methylpiperazin-1-yl)cyclopentane-1-carboxamide is COc1cc(CNC(=O)C2(N3CCN(C)CC3)CCCC2)ccc1OCCC(C)C.
What is the InChIKey of N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-1-(4-methylpiperazin-1-yl)cyclopentane-1-carboxamide?
The InChIKey is LMVLNNAAOSUABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39N3O3/c1-19(2)9-16-30-21-8-7-20(17-22(21)29-4)18-25-23(28)24(10-5-6-11-24)27-14-12-26(3)13-15-27/h7-8,17,19H,5-6,9-16,18H2,1-4H3,(H,25,28).
What are the key properties of N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-1-(4-methylpiperazin-1-yl)cyclopentane-1-carboxamide?
N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-1-(4-methylpiperazin-1-yl)cyclopentane-1-carboxamide has a molecular weight of 417.59 g/mol, XLogP of 3.30, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-1-(4-methylpiperazin-1-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 75423542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).