tert-butyl N-[3-propan-2-yl-3-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]cyclopentyl]carbamate

C24H35F3N4O3 — CID 72573887

IUPACtert-butyl N-[3-propan-2-yl-3-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]cyclopentyl]carbamate
SMILESCC(C)C1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CCC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C24H35F3N4O3/c1-16(2)23(8-6-18(15-23)29-21(33)34-22(3,4)5)20(32)31-12-10-30(11-13-31)19-14-17(7-9-28-19)24(25,26)27/h7,9,14,16,18H,6,8,10-13,15H2,1-5H3,(H,29,33)
InChIKeyNZWIFRIJTYLMEJ-UHFFFAOYSA-N
MW484.56 g/mol
LogP4.47
Rot. Bonds4

About tert-butyl N-[3-propan-2-yl-3-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]cyclopentyl]carbamate

tert-butyl N-[3-propan-2-yl-3-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]cyclopentyl]carbamate (PubChem CID 72573887) has the molecular formula C24H35F3N4O3 and a molecular weight of 484.56 g/mol. Its IUPAC name is tert-butyl N-[3-propan-2-yl-3-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-propan-2-yl-3-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]cyclopentyl]carbamate
PubChem CID72573887
Molecular FormulaC24H35F3N4O3
Molecular Weight484.56 g/mol
Exact Mass484.27
IUPAC Nametert-butyl N-[3-propan-2-yl-3-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]cyclopentyl]carbamate
SMILESCC(C)C1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CCC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C24H35F3N4O3/c1-16(2)23(8-6-18(15-23)29-21(33)34-22(3,4)5)20(32)31-12-10-30(11-13-31)19-14-17(7-9-28-19)24(25,26)27/h7,9,14,16,18H,6,8,10-13,15H2,1-5H3,(H,29,33)
InChIKeyNZWIFRIJTYLMEJ-UHFFFAOYSA-N
XLogP4.47
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-propan-2-yl-3-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[3-propan-2-yl-3-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]cyclopentyl]carbamate (CID 72573887) is tert-butyl N-[3-propan-2-yl-3-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-propan-2-yl-3-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[3-propan-2-yl-3-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]cyclopentyl]carbamate is CC(C)C1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CCC(NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[3-propan-2-yl-3-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]cyclopentyl]carbamate?
The InChIKey is NZWIFRIJTYLMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35F3N4O3/c1-16(2)23(8-6-18(15-23)29-21(33)34-22(3,4)5)20(32)31-12-10-30(11-13-31)19-14-17(7-9-28-19)24(25,26)27/h7,9,14,16,18H,6,8,10-13,15H2,1-5H3,(H,29,33).
What are the key properties of tert-butyl N-[3-propan-2-yl-3-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]cyclopentyl]carbamate?
tert-butyl N-[3-propan-2-yl-3-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]cyclopentyl]carbamate has a molecular weight of 484.56 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-propan-2-yl-3-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]cyclopentyl]carbamate is sourced from PubChem (CID 72573887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).