2-cyclopentyl-N-[1-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-yl]acetamide

C18H30F3N3O — CID 97254993

IUPAC2-cyclopentyl-N-[1-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-yl]acetamide
SMILESO=C(CC1CCCC1)NC1CCN([C@@H]2CCN(CC(F)(F)F)C2)CC1
InChIInChI=1S/C18H30F3N3O/c19-18(20,21)13-23-8-7-16(12-23)24-9-5-15(6-10-24)22-17(25)11-14-3-1-2-4-14/h14-16H,1-13H2,(H,22,25)/t16-/m1/s1
InChIKeyGSTBWYNZIZLPDI-MRXNPFEDSA-N
MW361.45 g/mol
LogP2.78
Rot. Bonds5

About 2-cyclopentyl-N-[1-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-yl]acetamide

2-cyclopentyl-N-[1-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-yl]acetamide (PubChem CID 97254993) has the molecular formula C18H30F3N3O and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-cyclopentyl-N-[1-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[1-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-yl]acetamide
PubChem CID97254993
Molecular FormulaC18H30F3N3O
Molecular Weight361.45 g/mol
Exact Mass361.23
IUPAC Name2-cyclopentyl-N-[1-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-yl]acetamide
SMILESO=C(CC1CCCC1)NC1CCN([C@@H]2CCN(CC(F)(F)F)C2)CC1
InChIInChI=1S/C18H30F3N3O/c19-18(20,21)13-23-8-7-16(12-23)24-9-5-15(6-10-24)22-17(25)11-14-3-1-2-4-14/h14-16H,1-13H2,(H,22,25)/t16-/m1/s1
InChIKeyGSTBWYNZIZLPDI-MRXNPFEDSA-N
XLogP2.78
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[1-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-yl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[1-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-yl]acetamide (CID 97254993) is 2-cyclopentyl-N-[1-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[1-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[1-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-yl]acetamide is O=C(CC1CCCC1)NC1CCN([C@@H]2CCN(CC(F)(F)F)C2)CC1.
What is the InChIKey of 2-cyclopentyl-N-[1-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-yl]acetamide?
The InChIKey is GSTBWYNZIZLPDI-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H30F3N3O/c19-18(20,21)13-23-8-7-16(12-23)24-9-5-15(6-10-24)22-17(25)11-14-3-1-2-4-14/h14-16H,1-13H2,(H,22,25)/t16-/m1/s1.
What are the key properties of 2-cyclopentyl-N-[1-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-yl]acetamide?
2-cyclopentyl-N-[1-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-yl]acetamide has a molecular weight of 361.45 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[1-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-yl]acetamide is sourced from PubChem (CID 97254993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).