N-[[2-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine

C22H29N3O3 — CID 120914739

IUPACN-[[2-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine
SMILESCOc1cccc(Oc2ncccc2CNC2CCCC2C2COCCN2)c1
InChIInChI=1S/C22H29N3O3/c1-26-17-6-2-7-18(13-17)28-22-16(5-4-10-24-22)14-25-20-9-3-8-19(20)21-15-27-12-11-23-21/h2,4-7,10,13,19-21,23,25H,3,8-9,11-12,14-15H2,1H3
InChIKeyIEXULRDZOVQFGI-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.13
Rot. Bonds7

About N-[[2-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine

N-[[2-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine (PubChem CID 120914739) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is N-[[2-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[[2-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine
PubChem CID120914739
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC NameN-[[2-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine
SMILESCOc1cccc(Oc2ncccc2CNC2CCCC2C2COCCN2)c1
InChIInChI=1S/C22H29N3O3/c1-26-17-6-2-7-18(13-17)28-22-16(5-4-10-24-22)14-25-20-9-3-8-19(20)21-15-27-12-11-23-21/h2,4-7,10,13,19-21,23,25H,3,8-9,11-12,14-15H2,1H3
InChIKeyIEXULRDZOVQFGI-UHFFFAOYSA-N
XLogP3.13
TPSA64.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine?
The IUPAC name of N-[[2-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine (CID 120914739) is N-[[2-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine.
What is the SMILES notation for N-[[2-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine?
The canonical SMILES for N-[[2-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine is COc1cccc(Oc2ncccc2CNC2CCCC2C2COCCN2)c1.
What is the InChIKey of N-[[2-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine?
The InChIKey is IEXULRDZOVQFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-26-17-6-2-7-18(13-17)28-22-16(5-4-10-24-22)14-25-20-9-3-8-19(20)21-15-27-12-11-23-21/h2,4-7,10,13,19-21,23,25H,3,8-9,11-12,14-15H2,1H3.
What are the key properties of N-[[2-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine?
N-[[2-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine has a molecular weight of 383.49 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine is sourced from PubChem (CID 120914739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).