(4aR)-1-cyclopentyl-4a-(4-propan-2-ylpiperazine-1-carbonyl)-3,4,5,6-tetrahydrocyclopenta[b]pyridin-2-one

C21H33N3O2 — CID 164630269

IUPAC(4aR)-1-cyclopentyl-4a-(4-propan-2-ylpiperazine-1-carbonyl)-3,4,5,6-tetrahydrocyclopenta[b]pyridin-2-one
SMILESCC(C)N1CCN(C(=O)[C@@]23CCC=C2N(C2CCCC2)C(=O)CC3)CC1
InChIInChI=1S/C21H33N3O2/c1-16(2)22-12-14-23(15-13-22)20(26)21-10-5-8-18(21)24(19(25)9-11-21)17-6-3-4-7-17/h8,16-17H,3-7,9-15H2,1-2H3/t21-/m1/s1
InChIKeyLAZYHRCGCMRGCS-OAQYLSRUSA-N
MW359.51 g/mol
LogP2.77
Rot. Bonds3

About (4aR)-1-cyclopentyl-4a-(4-propan-2-ylpiperazine-1-carbonyl)-3,4,5,6-tetrahydrocyclopenta[b]pyridin-2-one

(4aR)-1-cyclopentyl-4a-(4-propan-2-ylpiperazine-1-carbonyl)-3,4,5,6-tetrahydrocyclopenta[b]pyridin-2-one (PubChem CID 164630269) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is (4aR)-1-cyclopentyl-4a-(4-propan-2-ylpiperazine-1-carbonyl)-3,4,5,6-tetrahydrocyclopenta[b]pyridin-2-one.

Molecular Properties

Compound Name(4aR)-1-cyclopentyl-4a-(4-propan-2-ylpiperazine-1-carbonyl)-3,4,5,6-tetrahydrocyclopenta[b]pyridin-2-one
PubChem CID164630269
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC Name(4aR)-1-cyclopentyl-4a-(4-propan-2-ylpiperazine-1-carbonyl)-3,4,5,6-tetrahydrocyclopenta[b]pyridin-2-one
SMILESCC(C)N1CCN(C(=O)[C@@]23CCC=C2N(C2CCCC2)C(=O)CC3)CC1
InChIInChI=1S/C21H33N3O2/c1-16(2)22-12-14-23(15-13-22)20(26)21-10-5-8-18(21)24(19(25)9-11-21)17-6-3-4-7-17/h8,16-17H,3-7,9-15H2,1-2H3/t21-/m1/s1
InChIKeyLAZYHRCGCMRGCS-OAQYLSRUSA-N
XLogP2.77
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4aR)-1-cyclopentyl-4a-(4-propan-2-ylpiperazine-1-carbonyl)-3,4,5,6-tetrahydrocyclopenta[b]pyridin-2-one?
The IUPAC name of (4aR)-1-cyclopentyl-4a-(4-propan-2-ylpiperazine-1-carbonyl)-3,4,5,6-tetrahydrocyclopenta[b]pyridin-2-one (CID 164630269) is (4aR)-1-cyclopentyl-4a-(4-propan-2-ylpiperazine-1-carbonyl)-3,4,5,6-tetrahydrocyclopenta[b]pyridin-2-one.
What is the SMILES notation for (4aR)-1-cyclopentyl-4a-(4-propan-2-ylpiperazine-1-carbonyl)-3,4,5,6-tetrahydrocyclopenta[b]pyridin-2-one?
The canonical SMILES for (4aR)-1-cyclopentyl-4a-(4-propan-2-ylpiperazine-1-carbonyl)-3,4,5,6-tetrahydrocyclopenta[b]pyridin-2-one is CC(C)N1CCN(C(=O)[C@@]23CCC=C2N(C2CCCC2)C(=O)CC3)CC1.
What is the InChIKey of (4aR)-1-cyclopentyl-4a-(4-propan-2-ylpiperazine-1-carbonyl)-3,4,5,6-tetrahydrocyclopenta[b]pyridin-2-one?
The InChIKey is LAZYHRCGCMRGCS-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-16(2)22-12-14-23(15-13-22)20(26)21-10-5-8-18(21)24(19(25)9-11-21)17-6-3-4-7-17/h8,16-17H,3-7,9-15H2,1-2H3/t21-/m1/s1.
What are the key properties of (4aR)-1-cyclopentyl-4a-(4-propan-2-ylpiperazine-1-carbonyl)-3,4,5,6-tetrahydrocyclopenta[b]pyridin-2-one?
(4aR)-1-cyclopentyl-4a-(4-propan-2-ylpiperazine-1-carbonyl)-3,4,5,6-tetrahydrocyclopenta[b]pyridin-2-one has a molecular weight of 359.51 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR)-1-cyclopentyl-4a-(4-propan-2-ylpiperazine-1-carbonyl)-3,4,5,6-tetrahydrocyclopenta[b]pyridin-2-one is sourced from PubChem (CID 164630269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).