1-methyl-N-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide

C21H32N2O2 — CID 100691827

IUPAC1-methyl-N-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide
SMILESCC1CCN(CCOc2ccc(NC(=O)C3(C)CCCC3)cc2)CC1
InChIInChI=1S/C21H32N2O2/c1-17-9-13-23(14-10-17)15-16-25-19-7-5-18(6-8-19)22-20(24)21(2)11-3-4-12-21/h5-8,17H,3-4,9-16H2,1-2H3,(H,22,24)
InChIKeyGAGQDRQUTDSWJY-UHFFFAOYSA-N
MW344.50 g/mol
LogP4.32
Rot. Bonds6

About 1-methyl-N-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide

1-methyl-N-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide (PubChem CID 100691827) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 1-methyl-N-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide
PubChem CID100691827
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC Name1-methyl-N-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide
SMILESCC1CCN(CCOc2ccc(NC(=O)C3(C)CCCC3)cc2)CC1
InChIInChI=1S/C21H32N2O2/c1-17-9-13-23(14-10-17)15-16-25-19-7-5-18(6-8-19)22-20(24)21(2)11-3-4-12-21/h5-8,17H,3-4,9-16H2,1-2H3,(H,22,24)
InChIKeyGAGQDRQUTDSWJY-UHFFFAOYSA-N
XLogP4.32
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethoxy-N-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]cyclohexane-1-carboxamide
CID 100730558
1-methyl-N-[4-[3-[(3R)-3-methylpiperidin-1-yl]propoxy]phenyl]cyclopentane-1-carboxamide
CID 100692055
1-(4-chlorophenyl)-N-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide
CID 100665537
1-(2,4-dichlorophenyl)-N-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide
CID 100667622
1-methyl-N-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]cyclopentane-1-carboxamide
CID 133245840
1-ethoxy-4-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]cyclohexane-1-carboxamide
CID 100734194
1-(4-chlorophenyl)-N-[4-[3-(4-methylpiperidin-1-yl)propoxy]phenyl]cyclopentane-1-carboxamide
CID 100665731
N-[4-[2-(azepan-1-yl)ethoxy]phenyl]-4-methyl-1-propoxycyclohexane-1-carboxamide
CID 100716765
1-(2-fluorophenyl)-N-[4-[3-(4-methylpiperidin-1-yl)propoxy]phenyl]cyclopentane-1-carboxamide
CID 100663159
trans-(1R,3S)-1-methoxy-3-methyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]cyclohexane-1-carboxamide
CID 100706271
1-methoxy-N-[4-(2-piperidin-1-ylethoxy)phenyl]cyclopentane-1-carboxamide
CID 100702903
N-[4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]-1-methoxycyclopentane-1-carboxamide
CID 133246116

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-methyl-N-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide (CID 100691827) is 1-methyl-N-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-methyl-N-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-methyl-N-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide is CC1CCN(CCOc2ccc(NC(=O)C3(C)CCCC3)cc2)CC1.
What is the InChIKey of 1-methyl-N-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide?
The InChIKey is GAGQDRQUTDSWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-17-9-13-23(14-10-17)15-16-25-19-7-5-18(6-8-19)22-20(24)21(2)11-3-4-12-21/h5-8,17H,3-4,9-16H2,1-2H3,(H,22,24).
What are the key properties of 1-methyl-N-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide?
1-methyl-N-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide has a molecular weight of 344.50 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 100691827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).