1-ethyl-N-[4-(morpholin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]cyclobutane-1-carboxamide

C20H29N3O2 — CID 69165544

IUPAC1-ethyl-N-[4-(morpholin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]cyclobutane-1-carboxamide
SMILESCCC1(C(=O)Nc2cc(CN3CCOCC3)c3c(n2)CCC3)CCC1
InChIInChI=1S/C20H29N3O2/c1-2-20(7-4-8-20)19(24)22-18-13-15(14-23-9-11-25-12-10-23)16-5-3-6-17(16)21-18/h13H,2-12,14H2,1H3,(H,21,22,24)
InChIKeyMNOMQCWWPPTEHB-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.92
Rot. Bonds5

About 1-ethyl-N-[4-(morpholin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]cyclobutane-1-carboxamide

1-ethyl-N-[4-(morpholin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]cyclobutane-1-carboxamide (PubChem CID 69165544) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 1-ethyl-N-[4-(morpholin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[4-(morpholin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]cyclobutane-1-carboxamide
PubChem CID69165544
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name1-ethyl-N-[4-(morpholin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]cyclobutane-1-carboxamide
SMILESCCC1(C(=O)Nc2cc(CN3CCOCC3)c3c(n2)CCC3)CCC1
InChIInChI=1S/C20H29N3O2/c1-2-20(7-4-8-20)19(24)22-18-13-15(14-23-9-11-25-12-10-23)16-5-3-6-17(16)21-18/h13H,2-12,14H2,1H3,(H,21,22,24)
InChIKeyMNOMQCWWPPTEHB-UHFFFAOYSA-N
XLogP2.92
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[4-(morpholin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]cyclobutane-1-carboxamide?
The IUPAC name of 1-ethyl-N-[4-(morpholin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]cyclobutane-1-carboxamide (CID 69165544) is 1-ethyl-N-[4-(morpholin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-ethyl-N-[4-(morpholin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-ethyl-N-[4-(morpholin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]cyclobutane-1-carboxamide is CCC1(C(=O)Nc2cc(CN3CCOCC3)c3c(n2)CCC3)CCC1.
What is the InChIKey of 1-ethyl-N-[4-(morpholin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]cyclobutane-1-carboxamide?
The InChIKey is MNOMQCWWPPTEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-2-20(7-4-8-20)19(24)22-18-13-15(14-23-9-11-25-12-10-23)16-5-3-6-17(16)21-18/h13H,2-12,14H2,1H3,(H,21,22,24).
What are the key properties of 1-ethyl-N-[4-(morpholin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]cyclobutane-1-carboxamide?
1-ethyl-N-[4-(morpholin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]cyclobutane-1-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[4-(morpholin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]cyclobutane-1-carboxamide is sourced from PubChem (CID 69165544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).