1-[4-[(1R)-1-cyclopentyl-2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-3,3-dimethylbutan-1-one

C23H41N3O2 — CID 93208323

IUPAC1-[4-[(1R)-1-cyclopentyl-2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-3,3-dimethylbutan-1-one
SMILESC[C@@H]1CCCCN1C(=O)[C@@H](C1CCCC1)N1CCN(C(=O)CC(C)(C)C)CC1
InChIInChI=1S/C23H41N3O2/c1-18-9-7-8-12-26(18)22(28)21(19-10-5-6-11-19)25-15-13-24(14-16-25)20(27)17-23(2,3)4/h18-19,21H,5-17H2,1-4H3/t18-,21-/m1/s1
InChIKeySRVIETLJXKJGAO-WIYYLYMNSA-N
MW391.60 g/mol
LogP3.53
Rot. Bonds4

About 1-[4-[(1R)-1-cyclopentyl-2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-3,3-dimethylbutan-1-one

1-[4-[(1R)-1-cyclopentyl-2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-3,3-dimethylbutan-1-one (PubChem CID 93208323) has the molecular formula C23H41N3O2 and a molecular weight of 391.60 g/mol. Its IUPAC name is 1-[4-[(1R)-1-cyclopentyl-2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name1-[4-[(1R)-1-cyclopentyl-2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-3,3-dimethylbutan-1-one
PubChem CID93208323
Molecular FormulaC23H41N3O2
Molecular Weight391.60 g/mol
Exact Mass391.32
IUPAC Name1-[4-[(1R)-1-cyclopentyl-2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-3,3-dimethylbutan-1-one
SMILESC[C@@H]1CCCCN1C(=O)[C@@H](C1CCCC1)N1CCN(C(=O)CC(C)(C)C)CC1
InChIInChI=1S/C23H41N3O2/c1-18-9-7-8-12-26(18)22(28)21(19-10-5-6-11-19)25-15-13-24(14-16-25)20(27)17-23(2,3)4/h18-19,21H,5-17H2,1-4H3/t18-,21-/m1/s1
InChIKeySRVIETLJXKJGAO-WIYYLYMNSA-N
XLogP3.53
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.60
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1R)-1-cyclopentyl-2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-3,3-dimethylbutan-1-one?
The IUPAC name of 1-[4-[(1R)-1-cyclopentyl-2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-3,3-dimethylbutan-1-one (CID 93208323) is 1-[4-[(1R)-1-cyclopentyl-2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-3,3-dimethylbutan-1-one.
What is the SMILES notation for 1-[4-[(1R)-1-cyclopentyl-2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-3,3-dimethylbutan-1-one?
The canonical SMILES for 1-[4-[(1R)-1-cyclopentyl-2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-3,3-dimethylbutan-1-one is C[C@@H]1CCCCN1C(=O)[C@@H](C1CCCC1)N1CCN(C(=O)CC(C)(C)C)CC1.
What is the InChIKey of 1-[4-[(1R)-1-cyclopentyl-2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-3,3-dimethylbutan-1-one?
The InChIKey is SRVIETLJXKJGAO-WIYYLYMNSA-N. The full InChI is InChI=1S/C23H41N3O2/c1-18-9-7-8-12-26(18)22(28)21(19-10-5-6-11-19)25-15-13-24(14-16-25)20(27)17-23(2,3)4/h18-19,21H,5-17H2,1-4H3/t18-,21-/m1/s1.
What are the key properties of 1-[4-[(1R)-1-cyclopentyl-2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-3,3-dimethylbutan-1-one?
1-[4-[(1R)-1-cyclopentyl-2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-3,3-dimethylbutan-1-one has a molecular weight of 391.60 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1R)-1-cyclopentyl-2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-3,3-dimethylbutan-1-one is sourced from PubChem (CID 93208323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).