1-methoxy-N-[4-(2-piperidin-1-ylethoxy)phenyl]cyclopentane-1-carboxamide

C20H30N2O3 — CID 100702903

IUPAC1-methoxy-N-[4-(2-piperidin-1-ylethoxy)phenyl]cyclopentane-1-carboxamide
SMILESCOC1(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)CCCC1
InChIInChI=1S/C20H30N2O3/c1-24-20(11-3-4-12-20)19(23)21-17-7-9-18(10-8-17)25-16-15-22-13-5-2-6-14-22/h7-10H,2-6,11-16H2,1H3,(H,21,23)
InChIKeyLKNGFLBMMQICKE-UHFFFAOYSA-N
MW346.47 g/mol
LogP3.45
Rot. Bonds7

About 1-methoxy-N-[4-(2-piperidin-1-ylethoxy)phenyl]cyclopentane-1-carboxamide

1-methoxy-N-[4-(2-piperidin-1-ylethoxy)phenyl]cyclopentane-1-carboxamide (PubChem CID 100702903) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 1-methoxy-N-[4-(2-piperidin-1-ylethoxy)phenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-methoxy-N-[4-(2-piperidin-1-ylethoxy)phenyl]cyclopentane-1-carboxamide
PubChem CID100702903
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name1-methoxy-N-[4-(2-piperidin-1-ylethoxy)phenyl]cyclopentane-1-carboxamide
SMILESCOC1(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)CCCC1
InChIInChI=1S/C20H30N2O3/c1-24-20(11-3-4-12-20)19(23)21-17-7-9-18(10-8-17)25-16-15-22-13-5-2-6-14-22/h7-10H,2-6,11-16H2,1H3,(H,21,23)
InChIKeyLKNGFLBMMQICKE-UHFFFAOYSA-N
XLogP3.45
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-[4-(2-piperidin-1-ylethoxy)phenyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-methoxy-N-[4-(2-piperidin-1-ylethoxy)phenyl]cyclopentane-1-carboxamide (CID 100702903) is 1-methoxy-N-[4-(2-piperidin-1-ylethoxy)phenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-methoxy-N-[4-(2-piperidin-1-ylethoxy)phenyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-methoxy-N-[4-(2-piperidin-1-ylethoxy)phenyl]cyclopentane-1-carboxamide is COC1(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)CCCC1.
What is the InChIKey of 1-methoxy-N-[4-(2-piperidin-1-ylethoxy)phenyl]cyclopentane-1-carboxamide?
The InChIKey is LKNGFLBMMQICKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-24-20(11-3-4-12-20)19(23)21-17-7-9-18(10-8-17)25-16-15-22-13-5-2-6-14-22/h7-10H,2-6,11-16H2,1H3,(H,21,23).
What are the key properties of 1-methoxy-N-[4-(2-piperidin-1-ylethoxy)phenyl]cyclopentane-1-carboxamide?
1-methoxy-N-[4-(2-piperidin-1-ylethoxy)phenyl]cyclopentane-1-carboxamide has a molecular weight of 346.47 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-[4-(2-piperidin-1-ylethoxy)phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 100702903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).