[(1S,3R)-3-[(2-methyloxolan-3-yl)amino]-1-propan-2-ylcyclopentyl]-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone

C24H35F3N4O2 — CID 23630259

IUPAC[(1S,3R)-3-[(2-methyloxolan-3-yl)amino]-1-propan-2-ylcyclopentyl]-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
SMILESCC1OCCC1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1
InChIInChI=1S/C24H35F3N4O2/c1-16(2)23(7-4-19(15-23)29-20-6-13-33-17(20)3)22(32)31-11-9-30(10-12-31)21-14-18(5-8-28-21)24(25,26)27/h5,8,14,16-17,19-20,29H,4,6-7,9-13,15H2,1-3H3/t17?,19-,20?,23+/m1/s1
InChIKeyRDWLMDAINWHKBA-BWLPEJSISA-N
MW468.56 g/mol
LogP3.71
Rot. Bonds5

About [(1S,3R)-3-[(2-methyloxolan-3-yl)amino]-1-propan-2-ylcyclopentyl]-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone

[(1S,3R)-3-[(2-methyloxolan-3-yl)amino]-1-propan-2-ylcyclopentyl]-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone (PubChem CID 23630259) has the molecular formula C24H35F3N4O2 and a molecular weight of 468.56 g/mol. Its IUPAC name is [(1S,3R)-3-[(2-methyloxolan-3-yl)amino]-1-propan-2-ylcyclopentyl]-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(1S,3R)-3-[(2-methyloxolan-3-yl)amino]-1-propan-2-ylcyclopentyl]-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
PubChem CID23630259
Molecular FormulaC24H35F3N4O2
Molecular Weight468.56 g/mol
Exact Mass468.27
IUPAC Name[(1S,3R)-3-[(2-methyloxolan-3-yl)amino]-1-propan-2-ylcyclopentyl]-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
SMILESCC1OCCC1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1
InChIInChI=1S/C24H35F3N4O2/c1-16(2)23(7-4-19(15-23)29-20-6-13-33-17(20)3)22(32)31-11-9-30(10-12-31)21-14-18(5-8-28-21)24(25,26)27/h5,8,14,16-17,19-20,29H,4,6-7,9-13,15H2,1-3H3/t17?,19-,20?,23+/m1/s1
InChIKeyRDWLMDAINWHKBA-BWLPEJSISA-N
XLogP3.71
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(1S,3R)-3-[(2-methyloxolan-3-yl)amino]-1-propan-2-ylcyclopentyl]-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-3-[(2-methyloxolan-3-yl)amino]-1-propan-2-ylcyclopentyl]-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
The IUPAC name of [(1S,3R)-3-[(2-methyloxolan-3-yl)amino]-1-propan-2-ylcyclopentyl]-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone (CID 23630259) is [(1S,3R)-3-[(2-methyloxolan-3-yl)amino]-1-propan-2-ylcyclopentyl]-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone.
What is the SMILES notation for [(1S,3R)-3-[(2-methyloxolan-3-yl)amino]-1-propan-2-ylcyclopentyl]-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
The canonical SMILES for [(1S,3R)-3-[(2-methyloxolan-3-yl)amino]-1-propan-2-ylcyclopentyl]-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone is CC1OCCC1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1.
What is the InChIKey of [(1S,3R)-3-[(2-methyloxolan-3-yl)amino]-1-propan-2-ylcyclopentyl]-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
The InChIKey is RDWLMDAINWHKBA-BWLPEJSISA-N. The full InChI is InChI=1S/C24H35F3N4O2/c1-16(2)23(7-4-19(15-23)29-20-6-13-33-17(20)3)22(32)31-11-9-30(10-12-31)21-14-18(5-8-28-21)24(25,26)27/h5,8,14,16-17,19-20,29H,4,6-7,9-13,15H2,1-3H3/t17?,19-,20?,23+/m1/s1.
What are the key properties of [(1S,3R)-3-[(2-methyloxolan-3-yl)amino]-1-propan-2-ylcyclopentyl]-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
[(1S,3R)-3-[(2-methyloxolan-3-yl)amino]-1-propan-2-ylcyclopentyl]-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone has a molecular weight of 468.56 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-3-[(2-methyloxolan-3-yl)amino]-1-propan-2-ylcyclopentyl]-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone is sourced from PubChem (CID 23630259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).